N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H16Cl2N6O2 — CID 123366517

IUPACN-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C(Cl)Cc1[nH]ncc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C19H16Cl2N6O2/c1-29-17-4-3-11(20)7-12(17)14(21)8-15-16(10-23-26-15)25-19(28)13-9-24-27-6-2-5-22-18(13)27/h2-7,9-10,14H,8H2,1H3,(H,23,26)(H,25,28)
InChIKeyMGHYXHPZBIUSDR-UHFFFAOYSA-N
MW431.28 g/mol
LogP3.89
Rot. Bonds6

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

N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123366517) has the molecular formula C19H16Cl2N6O2 and a molecular weight of 431.28 g/mol. Its IUPAC name is N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID123366517
Molecular FormulaC19H16Cl2N6O2
Molecular Weight431.28 g/mol
Exact Mass430.07
IUPAC NameN-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C(Cl)Cc1[nH]ncc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C19H16Cl2N6O2/c1-29-17-4-3-11(20)7-12(17)14(21)8-15-16(10-23-26-15)25-19(28)13-9-24-27-6-2-5-22-18(13)27/h2-7,9-10,14H,8H2,1H3,(H,23,26)(H,25,28)
InChIKeyMGHYXHPZBIUSDR-UHFFFAOYSA-N
XLogP3.89
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-[5-(5-chloro-2-ethoxyphenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496681
N-[5-chloro-2-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664795
N-[5-chloro-2-(2-hydroxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66664748
N-[5-[5-chloro-2-(difluoromethylsulfanyl)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162644073
2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66879664
N-[1-(1-amino-1-oxopropan-2-yl)-3-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496673
N-[3-(5-chloro-2-methoxyphenyl)-1-(2-oxoethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154961995
N-[5-chloro-2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056335
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496991
N-[3-(5-chloro-2-methoxyphenyl)-1-[(2R)-2,3-dihydroxy-3-methylbutyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70495965
N-(5-methoxy-2-methyl-1H-indol-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056166

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123366517) is N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1C(Cl)Cc1[nH]ncc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MGHYXHPZBIUSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6O2/c1-29-17-4-3-11(20)7-12(17)14(21)8-15-16(10-23-26-15)25-19(28)13-9-24-27-6-2-5-22-18(13)27/h2-7,9-10,14H,8H2,1H3,(H,23,26)(H,25,28).
What are the key properties of N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 431.28 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-2-(5-chloro-2-methoxyphenyl)ethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123366517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).