1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide

C13H16N4O — CID 106909878

IUPAC1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
SMILESCNCc1ccc(NC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C13H16N4O/c1-14-7-10-3-5-12(6-4-10)16-13(18)11-8-15-17(2)9-11/h3-6,8-9,14H,7H2,1-2H3,(H,16,18)
InChIKeyKYKRZZXJDIWSFU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.39
Rot. Bonds4

About 1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide

1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 106909878) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
PubChem CID106909878
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
SMILESCNCc1ccc(NC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C13H16N4O/c1-14-7-10-3-5-12(6-4-10)16-13(18)11-8-15-17(2)9-11/h3-6,8-9,14H,7H2,1-2H3,(H,16,18)
InChIKeyKYKRZZXJDIWSFU-UHFFFAOYSA-N
XLogP1.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 19474486
N-[4-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110695872
1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 86986258
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
N-[(4-cyanophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 47161871
N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide
CID 106909959
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461808
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide (CID 106909878) is 1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide is CNCc1ccc(NC(=O)c2cnn(C)c2)cc1.
What is the InChIKey of 1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is KYKRZZXJDIWSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-14-7-10-3-5-12(6-4-10)16-13(18)11-8-15-17(2)9-11/h3-6,8-9,14H,7H2,1-2H3,(H,16,18).
What are the key properties of 1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide?
1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 106909878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).