N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H14Cl2N6O — CID 55820641

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N6O/c1-11-16(17-21-6-2-8-25(17)24-11)18(27)23-15-5-7-22-26(15)10-12-3-4-13(19)9-14(12)20/h2-9H,10H2,1H3,(H,23,27)
InChIKeyQKUGNCQYEMBGDN-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.84
Rot. Bonds4

About N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55820641) has the molecular formula C18H14Cl2N6O and a molecular weight of 401.26 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55820641
Molecular FormulaC18H14Cl2N6O
Molecular Weight401.26 g/mol
Exact Mass400.06
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N6O/c1-11-16(17-21-6-2-8-25(17)24-11)18(27)23-15-5-7-22-26(15)10-12-3-4-13(19)9-14(12)20/h2-9H,10H2,1H3,(H,23,27)
InChIKeyQKUGNCQYEMBGDN-UHFFFAOYSA-N
XLogP3.84
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839440
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-difluorobenzamide
CID 55435501
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55811504
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4,5-trimethoxybenzamide
CID 55435526
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
CID 47020457
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide
CID 16568046
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 16568023
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 16568052
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 16568051
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(methylamino)butanamide
CID 119695467

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55820641) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QKUGNCQYEMBGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N6O/c1-11-16(17-21-6-2-8-25(17)24-11)18(27)23-15-5-7-22-26(15)10-12-3-4-13(19)9-14(12)20/h2-9H,10H2,1H3,(H,23,27).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55820641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).