3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide

C18H16Cl2N8O — CID 160697510

IUPAC3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(-c2cccnc2)nc1Cl.Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C10H9ClN4O.C8H7ClN4/c1-7(16)13-9-6-15(14-10(9)11)8-3-2-4-12-5-8;9-8-7(10)5-13(12-8)6-2-1-3-11-4-6/h2-6H,1H3,(H,13,16);1-5H,10H2
InChIKeyRQEMQRNXQMEWFF-UHFFFAOYSA-N
MW431.29 g/mol
LogP3.38
Rot. Bonds3

About 3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide

3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide (PubChem CID 160697510) has the molecular formula C18H16Cl2N8O and a molecular weight of 431.29 g/mol. Its IUPAC name is 3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide
PubChem CID160697510
Molecular FormulaC18H16Cl2N8O
Molecular Weight431.29 g/mol
Exact Mass430.08
IUPAC Name3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(-c2cccnc2)nc1Cl.Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C10H9ClN4O.C8H7ClN4/c1-7(16)13-9-6-15(14-10(9)11)8-3-2-4-12-5-8;9-8-7(10)5-13(12-8)6-2-1-3-11-4-6/h2-6H,1H3,(H,13,16);1-5H,10H2
InChIKeyRQEMQRNXQMEWFF-UHFFFAOYSA-N
XLogP3.38
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-phenylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484735
N-(1-methylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484715
N-(1-ethylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484717
2-(4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-N-(2-chloropyridin-3-yl)acetamide
CID 1922700
2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-1-(4-pyridin-4-yl-piperazin-1-yl)-ethanone
CID 21071057
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
CID 56780363
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
CID 56780378
(1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)((3S)-3-fluoropyrrolidin-1-yl)methanone
CID 76283991
[1-[4-(4-Chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 118450482
[1-[4-(4-Chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 118450658
[1-[4-(4-Chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 118450696
[1-[4-(4-Chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-fluoropyrrolidin-1-yl)methanone
CID 129066107

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide?
The IUPAC name of 3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide (CID 160697510) is 3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide is CC(=O)Nc1cn(-c2cccnc2)nc1Cl.Nc1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of 3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide?
The InChIKey is RQEMQRNXQMEWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O.C8H7ClN4/c1-7(16)13-9-6-15(14-10(9)11)8-3-2-4-12-5-8;9-8-7(10)5-13(12-8)6-2-1-3-11-4-6/h2-6H,1H3,(H,13,16);1-5H,10H2.
What are the key properties of 3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide?
3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide has a molecular weight of 431.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 160697510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).