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N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide

C24H23Cl2N5O3 — CID 139370621

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide
SMILESCc1cc(Cl)cc(C(=O)NC2CC2)c1NC(=O)c1cc(CC2COC2)nn1-c1ncccc1Cl
InChIInChI=1S/C24H23Cl2N5O3/c1-13-7-15(25)9-18(23(32)28-16-4-5-16)21(13)29-24(33)20-10-17(8-14-11-34-12-14)30-31(20)22-19(26)3-2-6-27-22/h2-3,6-7,9-10,14,16H,4-5,8,11-12H2,1H3,(H,28,32)(H,29,33)
InChIKeyCGRAPEPMTSBEAI-UHFFFAOYSA-N
MW500.39 g/mol
LogP4.22
Rot. Bonds7

About N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide

N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 139370621) has the molecular formula C24H23Cl2N5O3 and a molecular weight of 500.39 g/mol. Its IUPAC name is N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide
PubChem CID139370621
Molecular FormulaC24H23Cl2N5O3
Molecular Weight500.39 g/mol
Exact Mass499.12
IUPAC NameN-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide
SMILESCc1cc(Cl)cc(C(=O)NC2CC2)c1NC(=O)c1cc(CC2COC2)nn1-c1ncccc1Cl
InChIInChI=1S/C24H23Cl2N5O3/c1-13-7-15(25)9-18(23(32)28-16-4-5-16)21(13)29-24(33)20-10-17(8-14-11-34-12-14)30-31(20)22-19(26)3-2-6-27-22/h2-3,6-7,9-10,14,16H,4-5,8,11-12H2,1H3,(H,28,32)(H,29,33)
InChIKeyCGRAPEPMTSBEAI-UHFFFAOYSA-N
XLogP4.22
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide (CID 139370621) is N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide is Cc1cc(Cl)cc(C(=O)NC2CC2)c1NC(=O)c1cc(CC2COC2)nn1-c1ncccc1Cl.
What is the InChIKey of N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is CGRAPEPMTSBEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O3/c1-13-7-15(25)9-18(23(32)28-16-4-5-16)21(13)29-24(33)20-10-17(8-14-11-34-12-14)30-31(20)22-19(26)3-2-6-27-22/h2-3,6-7,9-10,14,16H,4-5,8,11-12H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide?
N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 500.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(cyclopropylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-(oxetan-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 139370621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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