4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide

C12H15ClN4O — CID 61283741

IUPAC4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H15ClN4O/c1-2-5-17-8-9(13)6-11(17)12(18)14-7-10-3-4-15-16-10/h3-4,6,8H,2,5,7H2,1H3,(H,14,18)(H,15,16)
InChIKeyKLEBGLMJDSEXEG-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.20
Rot. Bonds5

About 4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide

4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide (PubChem CID 61283741) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide
PubChem CID61283741
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NCc1ccn[nH]1
InChIInChI=1S/C12H15ClN4O/c1-2-5-17-8-9(13)6-11(17)12(18)14-7-10-3-4-15-16-10/h3-4,6,8H,2,5,7H2,1H3,(H,14,18)(H,15,16)
InChIKeyKLEBGLMJDSEXEG-UHFFFAOYSA-N
XLogP2.20
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide
CID 104620364
5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 79994265
4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639804
4-chloro-N-hex-5-ynyl-1-propylpyrrole-2-carboxamide
CID 106209755
2-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220024
4-chloro-N-(6-fluoro-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 104820532
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide
CID 106115856
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-1-propylpyrrole-2-carboxamide
CID 63253284
4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide
CID 61216613
3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61284863
4-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106306233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide (CID 61283741) is 4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)NCc1ccn[nH]1.
What is the InChIKey of 4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is KLEBGLMJDSEXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-2-5-17-8-9(13)6-11(17)12(18)14-7-10-3-4-15-16-10/h3-4,6,8H,2,5,7H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide?
4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61283741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).