N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide

C14H18N4O — CID 136655088

IUPACN-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2cc[nH]c2)n[nH]1
InChIInChI=1S/C14H18N4O/c19-14(16-11-4-2-1-3-5-11)13-8-12(17-18-13)10-6-7-15-9-10/h6-9,11,15H,1-5H2,(H,16,19)(H,17,18)
InChIKeyZCPMZFYNKXNSNX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.47
Rot. Bonds3

About N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide

N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 136655088) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID136655088
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2cc[nH]c2)n[nH]1
InChIInChI=1S/C14H18N4O/c19-14(16-11-4-2-1-3-5-11)13-8-12(17-18-13)10-6-7-15-9-10/h6-9,11,15H,1-5H2,(H,16,19)(H,17,18)
InChIKeyZCPMZFYNKXNSNX-UHFFFAOYSA-N
XLogP2.47
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide (CID 136655088) is N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide is O=C(NC1CCCCC1)c1cc(-c2cc[nH]c2)n[nH]1.
What is the InChIKey of N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZCPMZFYNKXNSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14(16-11-4-2-1-3-5-11)13-8-12(17-18-13)10-6-7-15-9-10/h6-9,11,15H,1-5H2,(H,16,19)(H,17,18).
What are the key properties of N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide?
N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136655088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).