N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide

C15H20N4O — CID 66126875

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2CN)n(C)n1
InChIInChI=1S/C15H20N4O/c1-11-8-14(19(3)17-11)15(20)18(2)10-13-7-5-4-6-12(13)9-16/h4-8H,9-10,16H2,1-3H3
InChIKeyBVHVOWZGUUSOHZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.46
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide

N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 66126875) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID66126875
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2CN)n(C)n1
InChIInChI=1S/C15H20N4O/c1-11-8-14(19(3)17-11)15(20)18(2)10-13-7-5-4-6-12(13)9-16/h4-8H,9-10,16H2,1-3H3
InChIKeyBVHVOWZGUUSOHZ-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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 66126875) is N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2CN)n(C)n1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is BVHVOWZGUUSOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-8-14(19(3)17-11)15(20)18(2)10-13-7-5-4-6-12(13)9-16/h4-8H,9-10,16H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-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-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 66126875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).