N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide

C19H27N3O2 — CID 111662424

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(CCO)CC(C)C)nn1-c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-14(2)11-16(9-10-23)13-20-19(24)18-12-15(3)22(21-18)17-7-5-4-6-8-17/h4-8,12,14,16,23H,9-11,13H2,1-3H3,(H,20,24)
InChIKeyXKGFCQORFZBHNY-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.96
Rot. Bonds8

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 111662424) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID111662424
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(CCO)CC(C)C)nn1-c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-14(2)11-16(9-10-23)13-20-19(24)18-12-15(3)22(21-18)17-7-5-4-6-8-17/h4-8,12,14,16,23H,9-11,13H2,1-3H3,(H,20,24)
InChIKeyXKGFCQORFZBHNY-UHFFFAOYSA-N
XLogP2.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111447022
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 95782203
1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide
CID 110000266
5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
CID 55756841
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide
CID 97338956
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55843155
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55754690
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 111662424) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC(CCO)CC(C)C)nn1-c1ccccc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is XKGFCQORFZBHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)11-16(9-10-23)13-20-19(24)18-12-15(3)22(21-18)17-7-5-4-6-8-17/h4-8,12,14,16,23H,9-11,13H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 111662424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).