N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C15H20N4O — CID 2809080

IUPACN-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCCC2)c1-n1cccc1
InChIInChI=1S/C15H20N4O/c1-18-15(19-9-5-6-10-19)13(11-16-18)14(20)17-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyYWCYZWWEBSCVRV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.27
Rot. Bonds3

About N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 2809080) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID2809080
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CCCCC2)c1-n1cccc1
InChIInChI=1S/C15H20N4O/c1-18-15(19-9-5-6-10-19)13(11-16-18)14(20)17-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyYWCYZWWEBSCVRV-UHFFFAOYSA-N
XLogP2.27
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 2809080) is N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CCCCC2)c1-n1cccc1.
What is the InChIKey of N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is YWCYZWWEBSCVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-15(19-9-5-6-10-19)13(11-16-18)14(20)17-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,17,20).
What are the key properties of N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2809080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).