N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

C15H20N4O — CID 66120501

IUPACN-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2cccc(CN)c2)n(C)n1
InChIInChI=1S/C15H20N4O/c1-3-13-8-14(19(2)18-13)15(20)17-10-12-6-4-5-11(7-12)9-16/h4-8H,3,9-10,16H2,1-2H3,(H,17,20)
InChIKeyOYDSNINILDTCMW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.37
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66120501) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66120501
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2cccc(CN)c2)n(C)n1
InChIInChI=1S/C15H20N4O/c1-3-13-8-14(19(2)18-13)15(20)17-10-12-6-4-5-11(7-12)9-16/h4-8H,3,9-10,16H2,1-2H3,(H,17,20)
InChIKeyOYDSNINILDTCMW-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminophenyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121298
4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid
CID 66121497
N-[(4-carbamothioylphenyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121907
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66121147
3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
CID 66120747
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008422
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
3-N,6-N-bis[[3-(aminomethyl)phenyl]methyl]-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide
CID 59153726
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66120501) is N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NCc2cccc(CN)c2)n(C)n1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is OYDSNINILDTCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-13-8-14(19(2)18-13)15(20)17-10-12-6-4-5-11(7-12)9-16/h4-8H,3,9-10,16H2,1-2H3,(H,17,20).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66120501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).