N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide

C14H18N4O — CID 28742269

IUPACN-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H18N4O/c1-9-13(10(2)18(3)17-9)14(19)16-12-6-4-11(8-15)5-7-12/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeyQNWOMUDMSIHBCD-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.75
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide

N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 28742269) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID28742269
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC NameN-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H18N4O/c1-9-13(10(2)18(3)17-9)14(19)16-12-6-4-11(8-15)5-7-12/h4-7H,8,15H2,1-3H3,(H,16,19)
InChIKeyQNWOMUDMSIHBCD-UHFFFAOYSA-N
XLogP1.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-[3-(chloromethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 114293235
2-[3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 65345706
2-fluoro-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 103791455
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541
N-[3-(butanoylamino)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 87026220
N-(3-carbamothioylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742889
1,3,5-trimethyl-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 32607033
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17439489
N-(3,5-dichloro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 82884303

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide (CID 28742269) is N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is QNWOMUDMSIHBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-13(10(2)18(3)17-9)14(19)16-12-6-4-11(8-15)5-7-12/h4-7H,8,15H2,1-3H3,(H,16,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide?
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 258.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 28742269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).