(3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide

C16H26N4O — CID 97220946

IUPAC(3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)[C@H]1CCN(C2CCCCC2)C1
InChIInChI=1S/C16H26N4O/c1-19(12-14-7-9-17-18-14)16(21)13-8-10-20(11-13)15-5-3-2-4-6-15/h7,9,13,15H,2-6,8,10-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyMJJBEYYBYCQVRJ-ZDUSSCGKSA-N
MW290.41 g/mol
LogP2.02
Rot. Bonds4

About (3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide

(3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97220946) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID97220946
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)[C@H]1CCN(C2CCCCC2)C1
InChIInChI=1S/C16H26N4O/c1-19(12-14-7-9-17-18-14)16(21)13-8-10-20(11-13)15-5-3-2-4-6-15/h7,9,13,15H,2-6,8,10-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyMJJBEYYBYCQVRJ-ZDUSSCGKSA-N
XLogP2.02
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (CID 97220946) is (3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is CN(Cc1ccn[nH]1)C(=O)[C@H]1CCN(C2CCCCC2)C1.
What is the InChIKey of (3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is MJJBEYYBYCQVRJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(12-14-7-9-17-18-14)16(21)13-8-10-20(11-13)15-5-3-2-4-6-15/h7,9,13,15H,2-6,8,10-12H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97220946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).