1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide

C13H10Cl2N6O — CID 162440340

IUPAC1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1cn[nH]c1
InChIInChI=1S/C13H10Cl2N6O/c14-8-2-1-3-9(15)12(8)21-6-10(11(20-21)13(16)22)19-7-4-17-18-5-7/h1-6,19H,(H2,16,22)(H,17,18)
InChIKeyVQVONUUAVMHTHJ-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.74
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide

1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide (PubChem CID 162440340) has the molecular formula C13H10Cl2N6O and a molecular weight of 337.17 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide
PubChem CID162440340
Molecular FormulaC13H10Cl2N6O
Molecular Weight337.17 g/mol
Exact Mass336.03
IUPAC Name1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1cn[nH]c1
InChIInChI=1S/C13H10Cl2N6O/c14-8-2-1-3-9(15)12(8)21-6-10(11(20-21)13(16)22)19-7-4-17-18-5-7/h1-6,19H,(H2,16,22)(H,17,18)
InChIKeyVQVONUUAVMHTHJ-UHFFFAOYSA-N
XLogP2.74
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dichlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)amino]pyrazole-3-carboxamide
CID 162440656
1-(2,6-dichlorophenyl)-4-[4-(3,4-dimethylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440267
1-(2,6-dichlorophenyl)-4-[4-(3-fluorophenyl)anilino]pyrazole-3-carboxamide
CID 162440132
1-(2,6-dichlorophenyl)-4-[4-(2-methoxyethylcarbamoyl)anilino]pyrazole-3-carboxamide
CID 162440284
4-[4-(benzotriazol-1-yl)anilino]-1-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 162439993
1-(2,6-dichlorophenyl)-4-[[6-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-3-pyridinyl]amino]pyrazole-3-carboxamide
CID 162440288
1-(2,6-dichlorophenyl)-4-[4-(5-ethyl-4-methylpyrazol-1-yl)anilino]pyrazole-3-carboxamide
CID 162440475
1-(2,6-dichlorophenyl)-4-[4-[5-(hydroxymethyl)-1,2,4-triazol-1-yl]anilino]pyrazole-3-carboxamide
CID 162440198
1-(2,6-dichlorophenyl)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]amino]pyrazole-3-carboxamide
CID 162440073
1-(2,6-dichlorophenyl)-4-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440046
1-(2,6-dichlorophenyl)-4-[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440287
1-(2,6-dichlorophenyl)-4-[4-[1-propyl-4-(trifluoromethyl)imidazol-2-yl]anilino]pyrazole-3-carboxamide
CID 162440488

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide (CID 162440340) is 1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide is NC(=O)c1nn(-c2c(Cl)cccc2Cl)cc1Nc1cn[nH]c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide?
The InChIKey is VQVONUUAVMHTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N6O/c14-8-2-1-3-9(15)12(8)21-6-10(11(20-21)13(16)22)19-7-4-17-18-5-7/h1-6,19H,(H2,16,22)(H,17,18).
What are the key properties of 1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide?
1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide has a molecular weight of 337.17 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-(1H-pyrazol-4-ylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 162440340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).