5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide

C21H28N4O — CID 60552154

IUPAC5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide
SMILESCC1CCN(C(CNC(=O)c2cc(C3CC3)[nH]n2)c2ccccc2)CC1
InChIInChI=1S/C21H28N4O/c1-15-9-11-25(12-10-15)20(17-5-3-2-4-6-17)14-22-21(26)19-13-18(23-24-19)16-7-8-16/h2-6,13,15-16,20H,7-12,14H2,1H3,(H,22,26)(H,23,24)
InChIKeyOQPBNTLNKWYUSF-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.49
Rot. Bonds6

About 5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 60552154) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide
PubChem CID60552154
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide
SMILESCC1CCN(C(CNC(=O)c2cc(C3CC3)[nH]n2)c2ccccc2)CC1
InChIInChI=1S/C21H28N4O/c1-15-9-11-25(12-10-15)20(17-5-3-2-4-6-17)14-22-21(26)19-13-18(23-24-19)16-7-8-16/h2-6,13,15-16,20H,7-12,14H2,1H3,(H,22,26)(H,23,24)
InChIKeyOQPBNTLNKWYUSF-UHFFFAOYSA-N
XLogP3.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide (CID 60552154) is 5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide is CC1CCN(C(CNC(=O)c2cc(C3CC3)[nH]n2)c2ccccc2)CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is OQPBNTLNKWYUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-9-11-25(12-10-15)20(17-5-3-2-4-6-17)14-22-21(26)19-13-18(23-24-19)16-7-8-16/h2-6,13,15-16,20H,7-12,14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60552154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).