N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

C15H18N6O — CID 31852382

IUPACN,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C15H18N6O/c1-18(10-12-8-16-19(2)11-12)15(22)13-9-17-20(3)14(13)21-6-4-5-7-21/h4-9,11H,10H2,1-3H3
InChIKeyANUGOMUNOIGZTA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.22
Rot. Bonds4

About N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 31852382) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID31852382
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C15H18N6O/c1-18(10-12-8-16-19(2)11-12)15(22)13-9-17-20(3)14(13)21-6-4-5-7-21/h4-9,11H,10H2,1-3H3
InChIKeyANUGOMUNOIGZTA-UHFFFAOYSA-N
XLogP1.22
TPSA60.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38045932
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38074949
N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 107202135
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 146086977
N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38230240
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate
CID 61242474
N-benzyl-N-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 6623611
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477840
2-anilino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31848474
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38107143

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 31852382) is N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is ANUGOMUNOIGZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-18(10-12-8-16-19(2)11-12)15(22)13-9-17-20(3)14(13)21-6-4-5-7-21/h4-9,11H,10H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 31852382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).