1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide

C21H22ClN5O — CID 32953030

IUPAC1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(N3CCCC3)cn2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H22ClN5O/c1-2-19-18(14-24-27(19)16-7-5-6-15(22)12-16)21(28)25-20-9-8-17(13-23-20)26-10-3-4-11-26/h5-9,12-14H,2-4,10-11H2,1H3,(H,23,25,28)
InChIKeyPMYQNEUMCXIPCJ-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.34
Rot. Bonds5

About 1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide (PubChem CID 32953030) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
PubChem CID32953030
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(N3CCCC3)cn2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H22ClN5O/c1-2-19-18(14-24-27(19)16-7-5-6-15(22)12-16)21(28)25-20-9-8-17(13-23-20)26-10-3-4-11-26/h5-9,12-14H,2-4,10-11H2,1H3,(H,23,25,28)
InChIKeyPMYQNEUMCXIPCJ-UHFFFAOYSA-N
XLogP4.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46589414
1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide
CID 55864191
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
1-[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 52654373
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78852602
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 46400590

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide (CID 32953030) is 1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(N3CCCC3)cn2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is PMYQNEUMCXIPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-2-19-18(14-24-27(19)16-7-5-6-15(22)12-16)21(28)25-20-9-8-17(13-23-20)26-10-3-4-11-26/h5-9,12-14H,2-4,10-11H2,1H3,(H,23,25,28).
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 32953030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).