N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H18F2N6O2 — CID 154962216

IUPACN-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(C)(F)F)cc1-c1[nH]ncc1NC(=O)C1=C2N=CC=CN2NC1
InChIInChI=1S/C19H18F2N6O2/c1-19(20,21)11-4-5-15(29-2)12(8-11)16-14(10-23-26-16)25-18(28)13-9-24-27-7-3-6-22-17(13)27/h3-8,10,24H,9H2,1-2H3,(H,23,26)(H,25,28)
InChIKeyURFNPOMNVWQJFL-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.77
Rot. Bonds5

About N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154962216) has the molecular formula C19H18F2N6O2 and a molecular weight of 400.39 g/mol. Its IUPAC name is N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154962216
Molecular FormulaC19H18F2N6O2
Molecular Weight400.39 g/mol
Exact Mass400.15
IUPAC NameN-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(C(C)(F)F)cc1-c1[nH]ncc1NC(=O)C1=C2N=CC=CN2NC1
InChIInChI=1S/C19H18F2N6O2/c1-19(20,21)11-4-5-15(29-2)12(8-11)16-14(10-23-26-16)25-18(28)13-9-24-27-7-3-6-22-17(13)27/h3-8,10,24H,9H2,1-2H3,(H,23,26)(H,25,28)
InChIKeyURFNPOMNVWQJFL-UHFFFAOYSA-N
XLogP2.77
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-cyano-2-methoxyphenyl)-1-[3,3-difluoro-2-hydroxy-2-(trifluoromethyl)hexyl]pyrazol-4-yl]-6-methyl-6,7-dihydropyrimido[1,2-a]azepine-10-carboxamide
CID 123929914
N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135200234
(2E)-N-[5-[2,5-bis(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2-[1-(methylideneamino)pyrimidin-2-ylidene]propanamide
CID 138690571
(2E)-N-[3-[2-(difluoromethoxy)-5-(difluoromethyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-2-[1-(methylideneamino)pyrimidin-2-ylidene]propanamide
CID 138690572
N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421426
N-[5-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421457
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(oxan-4-yl)pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421460
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-(methylamino)ethyl]pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421555
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421587
N-[5-[5-cyclopropylsulfanyl-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421761
4-(difluoromethoxy)-3-[4-(2H-pyrazolo[1,5-a]pyrimidin-1-yl)-1H-pyrazol-5-yl]benzonitrile
CID 141405344
1-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
CID 141405347

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154962216) is N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(C(C)(F)F)cc1-c1[nH]ncc1NC(=O)C1=C2N=CC=CN2NC1.
What is the InChIKey of N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is URFNPOMNVWQJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2/c1-19(20,21)11-4-5-15(29-2)12(8-11)16-14(10-23-26-16)25-18(28)13-9-24-27-7-3-6-22-17(13)27/h3-8,10,24H,9H2,1-2H3,(H,23,26)(H,25,28).
What are the key properties of N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154962216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).