4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide

C17H27ClN4O2 — CID 110127930

IUPAC4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide
SMILESCCCn1cc(Cl)c(C(=O)N[C@@H]2CCCC(N3CCCC3)[C@@H]2O)n1
InChIInChI=1S/C17H27ClN4O2/c1-2-8-22-11-12(18)15(20-22)17(24)19-13-6-5-7-14(16(13)23)21-9-3-4-10-21/h11,13-14,16,23H,2-10H2,1H3,(H,19,24)/t13-,14?,16-/m1/s1
InChIKeyMUQCOORIEVYIBF-XRZAVGITSA-N
MW354.88 g/mol
LogP2.05
Rot. Bonds5

About 4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide

4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide (PubChem CID 110127930) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide
PubChem CID110127930
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide
SMILESCCCn1cc(Cl)c(C(=O)N[C@@H]2CCCC(N3CCCC3)[C@@H]2O)n1
InChIInChI=1S/C17H27ClN4O2/c1-2-8-22-11-12(18)15(20-22)17(24)19-13-6-5-7-14(16(13)23)21-9-3-4-10-21/h11,13-14,16,23H,2-10H2,1H3,(H,19,24)/t13-,14?,16-/m1/s1
InChIKeyMUQCOORIEVYIBF-XRZAVGITSA-N
XLogP2.05
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide (CID 110127930) is 4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide is CCCn1cc(Cl)c(C(=O)N[C@@H]2CCCC(N3CCCC3)[C@@H]2O)n1.
What is the InChIKey of 4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide?
The InChIKey is MUQCOORIEVYIBF-XRZAVGITSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c1-2-8-22-11-12(18)15(20-22)17(24)19-13-6-5-7-14(16(13)23)21-9-3-4-10-21/h11,13-14,16,23H,2-10H2,1H3,(H,19,24)/t13-,14?,16-/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide?
4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide has a molecular weight of 354.88 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-1-propylpyrazole-3-carboxamide is sourced from PubChem (CID 110127930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).