1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide

C16H20N4O — CID 64782317

IUPAC1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ccccc2CNC2CC2)n1
InChIInChI=1S/C16H20N4O/c1-19(2)16(21)14-9-10-20(18-14)15-6-4-3-5-12(15)11-17-13-7-8-13/h3-6,9-10,13,17H,7-8,11H2,1-2H3
InChIKeyNIDLSVJAMYJBQY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.83
Rot. Bonds5

About 1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide

1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 64782317) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID64782317
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ccccc2CNC2CC2)n1
InChIInChI=1S/C16H20N4O/c1-19(2)16(21)14-9-10-20(18-14)15-6-4-3-5-12(15)11-17-13-7-8-13/h3-6,9-10,13,17H,7-8,11H2,1-2H3
InChIKeyNIDLSVJAMYJBQY-UHFFFAOYSA-N
XLogP1.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64780414
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 114854747
1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64781358
1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 115995461
2-[2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375210
N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64781367
4-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 79742029
N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084
N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
CID 129369503
1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64782126
3,4-dimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 64744640

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide (CID 64782317) is 1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2ccccc2CNC2CC2)n1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is NIDLSVJAMYJBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19(2)16(21)14-9-10-20(18-14)15-6-4-3-5-12(15)11-17-13-7-8-13/h3-6,9-10,13,17H,7-8,11H2,1-2H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide?
1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 64782317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).