N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide

C16H22N4O — CID 64781367

IUPACN-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccccc2CNCC(C)C)n1
InChIInChI=1S/C16H22N4O/c1-12(2)10-18-11-13-6-4-5-7-15(13)20-9-8-14(19-20)16(21)17-3/h4-9,12,18H,10-11H2,1-3H3,(H,17,21)
InChIKeyCKOFOKMKWOUUBT-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.98
Rot. Bonds6

About N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide

N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 64781367) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
PubChem CID64781367
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccccc2CNCC(C)C)n1
InChIInChI=1S/C16H22N4O/c1-12(2)10-18-11-13-6-4-5-7-15(13)20-9-8-14(19-20)16(21)17-3/h4-9,12,18H,10-11H2,1-3H3,(H,17,21)
InChIKeyCKOFOKMKWOUUBT-UHFFFAOYSA-N
XLogP1.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide
CID 79001114
2-[3-(methylcarbamoyl)pyrazol-1-yl]benzoic acid
CID 64781141
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64780414
1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 112678365
2-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63069997
1-(2-carbamothioylphenyl)-N-methylpyrazole-3-carboxamide
CID 64780767
1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64781708
1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64780581
1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
CID 78863955
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313
1-[2-(aminomethyl)-5-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 64780985

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide (CID 64781367) is N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide is CNC(=O)c1ccn(-c2ccccc2CNCC(C)C)n1.
What is the InChIKey of N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is CKOFOKMKWOUUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)10-18-11-13-6-4-5-7-15(13)20-9-8-14(19-20)16(21)17-3/h4-9,12,18H,10-11H2,1-3H3,(H,17,21).
What are the key properties of N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide?
N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 64781367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).