cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C19H30N4O2 — CID 134713536

IUPACcis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C19H30N4O2/c1-3-10-23-17(13-14(2)21-23)20-18(24)15-8-4-5-9-16(15)19(25)22-11-6-7-12-22/h13,15-16H,3-12H2,1-2H3,(H,20,24)/t15-,16+/m0/s1
InChIKeyNVDFVPZEZYELSN-JKSUJKDBSA-N
MW346.48 g/mol
LogP2.97
Rot. Bonds5

About cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 134713536) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID134713536
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Namecis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C19H30N4O2/c1-3-10-23-17(13-14(2)21-23)20-18(24)15-8-4-5-9-16(15)19(25)22-11-6-7-12-22/h13,15-16H,3-12H2,1-2H3,(H,20,24)/t15-,16+/m0/s1
InChIKeyNVDFVPZEZYELSN-JKSUJKDBSA-N
XLogP2.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 134713536) is cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CCCn1nc(C)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is NVDFVPZEZYELSN-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-10-23-17(13-14(2)21-23)20-18(24)15-8-4-5-9-16(15)19(25)22-11-6-7-12-22/h13,15-16H,3-12H2,1-2H3,(H,20,24)/t15-,16+/m0/s1.
What are the key properties of cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(5-methyl-2-propylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 134713536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).