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

C15H20N4O — CID 60922468

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(CN)cc2)cnn1C
InChIInChI=1S/C15H20N4O/c1-11-14(9-17-19(11)3)15(20)18(2)10-13-6-4-12(8-16)5-7-13/h4-7,9H,8,10,16H2,1-3H3
InChIKeyUPELNCTXBTYNHL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.46
Rot. Bonds4

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

N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide (PubChem CID 60922468) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
PubChem CID60922468
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(CN)cc2)cnn1C
InChIInChI=1S/C15H20N4O/c1-11-14(9-17-19(11)3)15(20)18(2)10-13-6-4-12(8-16)5-7-13/h4-7,9H,8,10,16H2,1-3H3
InChIKeyUPELNCTXBTYNHL-UHFFFAOYSA-N
XLogP1.46
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]benzoic acid
CID 60978715
5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330494
N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 62333069
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81479696
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoate
CID 55008401
N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38045932
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide
CID 166198818
N-(2-amino-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 63754379
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 19477826
N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61234511

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide (CID 60922468) is N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2ccc(CN)cc2)cnn1C.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
The InChIKey is UPELNCTXBTYNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-14(9-17-19(11)3)15(20)18(2)10-13-6-4-12(8-16)5-7-13/h4-7,9H,8,10,16H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 60922468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).