N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide

C16H22N4O — CID 64780414

IUPACN,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide
SMILESCCCNCc1ccccc1-n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C16H22N4O/c1-4-10-17-12-13-7-5-6-8-15(13)20-11-9-14(18-20)16(21)19(2)3/h5-9,11,17H,4,10,12H2,1-3H3
InChIKeyLIAFXSFXZNSJKN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.07
Rot. Bonds6

About N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide

N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 64780414) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide
PubChem CID64780414
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide
SMILESCCCNCc1ccccc1-n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C16H22N4O/c1-4-10-17-12-13-7-5-6-8-15(13)20-11-9-14(18-20)16(21)19(2)3/h5-9,11,17H,4,10,12H2,1-3H3
InChIKeyLIAFXSFXZNSJKN-UHFFFAOYSA-N
XLogP2.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64782317
N,N-dimethyl-1-[5-(propylaminomethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 80636555
N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64781367
1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 115995461
1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64781358
1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64782126
1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 65342316
1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 43570572
1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782828
1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
CID 80636556
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide (CID 64780414) is N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide is CCCNCc1ccccc1-n1ccc(C(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is LIAFXSFXZNSJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-10-17-12-13-7-5-6-8-15(13)20-11-9-14(18-20)16(21)19(2)3/h5-9,11,17H,4,10,12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide?
N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 64780414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).