N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide

C21H30N4O2 — CID 151912303

IUPACN-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(CO)CCNCC2)nn1-c1ccccc1
InChIInChI=1S/C21H30N4O2/c1-16(2)12-18-13-19(24-25(18)17-6-4-3-5-7-17)20(27)23-14-21(15-26)8-10-22-11-9-21/h3-7,13,16,22,26H,8-12,14-15H2,1-2H3,(H,23,27)
InChIKeySVALHELSFCHBCG-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.16
Rot. Bonds7

About N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide

N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 151912303) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
PubChem CID151912303
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(CO)CCNCC2)nn1-c1ccccc1
InChIInChI=1S/C21H30N4O2/c1-16(2)12-18-13-19(24-25(18)17-6-4-3-5-7-17)20(27)23-14-21(15-26)8-10-22-11-9-21/h3-7,13,16,22,26H,8-12,14-15H2,1-2H3,(H,23,27)
InChIKeySVALHELSFCHBCG-UHFFFAOYSA-N
XLogP2.16
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide (CID 151912303) is N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCC2(CO)CCNCC2)nn1-c1ccccc1.
What is the InChIKey of N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is SVALHELSFCHBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16(2)12-18-13-19(24-25(18)17-6-4-3-5-7-17)20(27)23-14-21(15-26)8-10-22-11-9-21/h3-7,13,16,22,26H,8-12,14-15H2,1-2H3,(H,23,27).
What are the key properties of N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide?
N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]-5-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 151912303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).