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

C20H28N4O2 — CID 119604031

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)COc1cn(-c2ccccc2)nc1C(=O)NC1CCCC1CN
InChIInChI=1S/C20H28N4O2/c1-14(2)13-26-18-12-24(16-8-4-3-5-9-16)23-19(18)20(25)22-17-10-6-7-15(17)11-21/h3-5,8-9,12,14-15,17H,6-7,10-11,13,21H2,1-2H3,(H,22,25)
InChIKeyXZKCCZRIVFXZJC-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.76
Rot. Bonds7

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

N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide (PubChem CID 119604031) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
PubChem CID119604031
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)COc1cn(-c2ccccc2)nc1C(=O)NC1CCCC1CN
InChIInChI=1S/C20H28N4O2/c1-14(2)13-26-18-12-24(16-8-4-3-5-9-16)23-19(18)20(25)22-17-10-6-7-15(17)11-21/h3-5,8-9,12,14-15,17H,6-7,10-11,13,21H2,1-2H3,(H,22,25)
InChIKeyXZKCCZRIVFXZJC-UHFFFAOYSA-N
XLogP2.76
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide (CID 119604031) is N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide is CC(C)COc1cn(-c2ccccc2)nc1C(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
The InChIKey is XZKCCZRIVFXZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(2)13-26-18-12-24(16-8-4-3-5-9-16)23-19(18)20(25)22-17-10-6-7-15(17)11-21/h3-5,8-9,12,14-15,17H,6-7,10-11,13,21H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(2-methylpropoxy)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 119604031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).