N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide

C15H18N6O — CID 118303075

IUPACN-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide
SMILESCC1=NCCC(C)=C1Cn1cc(NC(=O)n2ccnc2)cn1
InChIInChI=1S/C15H18N6O/c1-11-3-4-17-12(2)14(11)9-21-8-13(7-18-21)19-15(22)20-6-5-16-10-20/h5-8,10H,3-4,9H2,1-2H3,(H,19,22)
InChIKeyUJYMQWCQLLBTCX-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.34
Rot. Bonds3

About N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide

N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide (PubChem CID 118303075) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide
PubChem CID118303075
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide
SMILESCC1=NCCC(C)=C1Cn1cc(NC(=O)n2ccnc2)cn1
InChIInChI=1S/C15H18N6O/c1-11-3-4-17-12(2)14(11)9-21-8-13(7-18-21)19-15(22)20-6-5-16-10-20/h5-8,10H,3-4,9H2,1-2H3,(H,19,22)
InChIKeyUJYMQWCQLLBTCX-UHFFFAOYSA-N
XLogP2.34
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide?
The IUPAC name of N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide (CID 118303075) is N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide is CC1=NCCC(C)=C1Cn1cc(NC(=O)n2ccnc2)cn1.
What is the InChIKey of N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide?
The InChIKey is UJYMQWCQLLBTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-11-3-4-17-12(2)14(11)9-21-8-13(7-18-21)19-15(22)20-6-5-16-10-20/h5-8,10H,3-4,9H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide?
N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4,6-dimethyl-2,3-dihydropyridin-5-yl)methyl]pyrazol-4-yl]imidazole-1-carboxamide is sourced from PubChem (CID 118303075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).