N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C15H20N6O2 — CID 120924487

IUPACN-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCn1cc(NC(=O)C2(n3cccn3)CCNCC2)cc1C(N)=O
InChIInChI=1S/C15H20N6O2/c1-20-10-11(9-12(20)13(16)22)19-14(23)15(3-6-17-7-4-15)21-8-2-5-18-21/h2,5,8-10,17H,3-4,6-7H2,1H3,(H2,16,22)(H,19,23)
InChIKeyLUXRJCJWDYJBCW-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.04
Rot. Bonds4

About N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120924487) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120924487
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCn1cc(NC(=O)C2(n3cccn3)CCNCC2)cc1C(N)=O
InChIInChI=1S/C15H20N6O2/c1-20-10-11(9-12(20)13(16)22)19-14(23)15(3-6-17-7-4-15)21-8-2-5-18-21/h2,5,8-10,17H,3-4,6-7H2,1H3,(H2,16,22)(H,19,23)
InChIKeyLUXRJCJWDYJBCW-UHFFFAOYSA-N
XLogP0.04
TPSA106.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 120917447
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928511
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921641
N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935848

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120924487) is N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is Cn1cc(NC(=O)C2(n3cccn3)CCNCC2)cc1C(N)=O.
What is the InChIKey of N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is LUXRJCJWDYJBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-20-10-11(9-12(20)13(16)22)19-14(23)15(3-6-17-7-4-15)21-8-2-5-18-21/h2,5,8-10,17H,3-4,6-7H2,1H3,(H2,16,22)(H,19,23).
What are the key properties of N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120924487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).