N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide

C20H30N4O2 — CID 119571155

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C
InChIInChI=1S/C20H30N4O2/c1-5-20(6-2,14-21)22-19(25)18-17(26-13-15(3)4)12-24(23-18)16-10-8-7-9-11-16/h7-12,15H,5-6,13-14,21H2,1-4H3,(H,22,25)
InChIKeyGKMJENHIQWETMX-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.15
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide (PubChem CID 119571155) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
PubChem CID119571155
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C
InChIInChI=1S/C20H30N4O2/c1-5-20(6-2,14-21)22-19(25)18-17(26-13-15(3)4)12-24(23-18)16-10-8-7-9-11-16/h7-12,15H,5-6,13-14,21H2,1-4H3,(H,22,25)
InChIKeyGKMJENHIQWETMX-UHFFFAOYSA-N
XLogP3.15
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide (CID 119571155) is N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide is CCC(CC)(CN)NC(=O)c1nn(-c2ccccc2)cc1OCC(C)C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
The InChIKey is GKMJENHIQWETMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-5-20(6-2,14-21)22-19(25)18-17(26-13-15(3)4)12-24(23-18)16-10-8-7-9-11-16/h7-12,15H,5-6,13-14,21H2,1-4H3,(H,22,25).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 119571155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).