1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide

C15H20N4O — CID 64782497

IUPAC1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(CNC(C)C)ccc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C15H20N4O/c1-10(2)17-9-12-4-5-14(11(3)8-12)19-7-6-13(18-19)15(16)20/h4-8,10,17H,9H2,1-3H3,(H2,16,20)
InChIKeyQVJDDDQAYNITMZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.78
Rot. Bonds5

About 1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide

1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 64782497) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide
PubChem CID64782497
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(CNC(C)C)ccc1-n1ccc(C(N)=O)n1
InChIInChI=1S/C15H20N4O/c1-10(2)17-9-12-4-5-14(11(3)8-12)19-7-6-13(18-19)15(16)20/h4-8,10,17H,9H2,1-3H3,(H2,16,20)
InChIKeyQVJDDDQAYNITMZ-UHFFFAOYSA-N
XLogP1.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64780215
1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782681
1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide
CID 105406365
1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64782126
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidine-4-carboxamide
CID 62121170
1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64781178
5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide
CID 115906161
2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 63070580
N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine
CID 105406253
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide
CID 64780771
1-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]pyrazole-3-carboxamide
CID 64780589
1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64782312

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide (CID 64782497) is 1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide is Cc1cc(CNC(C)C)ccc1-n1ccc(C(N)=O)n1.
What is the InChIKey of 1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is QVJDDDQAYNITMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)17-9-12-4-5-14(11(3)8-12)19-7-6-13(18-19)15(16)20/h4-8,10,17H,9H2,1-3H3,(H2,16,20).
What are the key properties of 1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide?
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 64782497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).