N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide

C14H18N4O — CID 106910687

IUPACN-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCCCNCc1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C14H18N4O/c1-2-6-15-8-11-4-3-5-13(7-11)18-14(19)12-9-16-17-10-12/h3-5,7,9-10,15H,2,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyPMDJJNOYYCBJMN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.16
Rot. Bonds6

About N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide

N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 106910687) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID106910687
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCCCNCc1cccc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C14H18N4O/c1-2-6-15-8-11-4-3-5-13(7-11)18-14(19)12-9-16-17-10-12/h3-5,7,9-10,15H,2,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyPMDJJNOYYCBJMN-UHFFFAOYSA-N
XLogP2.16
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 43532955
2-[3-(1H-pyrazole-4-carbonylamino)phenyl]acetic acid
CID 65345747
2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910739
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 54867752
2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide
CID 106910635
N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182293
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60786152
3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910632
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
CID 106910721
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
CID 106910711
4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910729
4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601282

Frequently Asked Questions

What is the IUPAC name of N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 106910687) is N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide is CCCNCc1cccc(NC(=O)c2cn[nH]c2)c1.
What is the InChIKey of N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is PMDJJNOYYCBJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-6-15-8-11-4-3-5-13(7-11)18-14(19)12-9-16-17-10-12/h3-5,7,9-10,15H,2,6,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide?
N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 106910687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).