N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide

C16H24N4O2 — CID 97066371

IUPACN-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C16H24N4O2/c1-11-14(9-17-19-11)15(21)18-13-7-8-20(10-13)16(22)12-5-3-2-4-6-12/h9,12-13H,2-8,10H2,1H3,(H,17,19)(H,18,21)/t13-/m0/s1
InChIKeyVLCMSHRJRLOTIR-ZDUSSCGKSA-N
MW304.39 g/mol
LogP1.63
Rot. Bonds3

About N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 97066371) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID97066371
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C16H24N4O2/c1-11-14(9-17-19-11)15(21)18-13-7-8-20(10-13)16(22)12-5-3-2-4-6-12/h9,12-13H,2-8,10H2,1H3,(H,17,19)(H,18,21)/t13-/m0/s1
InChIKeyVLCMSHRJRLOTIR-ZDUSSCGKSA-N
XLogP1.63
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide (CID 97066371) is N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is VLCMSHRJRLOTIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-14(9-17-19-11)15(21)18-13-7-8-20(10-13)16(22)12-5-3-2-4-6-12/h9,12-13H,2-8,10H2,1H3,(H,17,19)(H,18,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97066371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).