N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide

C24H37N3O3 — CID 118486457

IUPACN-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide
SMILESCCCC(NC(=O)c1cnn(CCO)c1OCc1ccccc1)C(CC)CC(C)C
InChIInChI=1S/C24H37N3O3/c1-5-10-22(20(6-2)15-18(3)4)26-23(29)21-16-25-27(13-14-28)24(21)30-17-19-11-8-7-9-12-19/h7-9,11-12,16,18,20,22,28H,5-6,10,13-15,17H2,1-4H3,(H,26,29)
InChIKeyKACZKVDAURUVAW-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.43
Rot. Bonds13

About N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide

N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide (PubChem CID 118486457) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide
PubChem CID118486457
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC NameN-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide
SMILESCCCC(NC(=O)c1cnn(CCO)c1OCc1ccccc1)C(CC)CC(C)C
InChIInChI=1S/C24H37N3O3/c1-5-10-22(20(6-2)15-18(3)4)26-23(29)21-16-25-27(13-14-28)24(21)30-17-19-11-8-7-9-12-19/h7-9,11-12,16,18,20,22,28H,5-6,10,13-15,17H2,1-4H3,(H,26,29)
InChIKeyKACZKVDAURUVAW-UHFFFAOYSA-N
XLogP4.43
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-(2-ethylbutyl)cyclobutyl]carbamoyl]-5-phenylmethoxypyrazol-1-yl]ethyl methanesulfonate
CID 89245805
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CID 91781993
3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
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2-phenylmethoxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 135104972
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CID 54511433
2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide
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2-amino-N-[(2S,3S)-2-[[4-[4-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenyl]phenyl]methoxy]hexan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 146427003
benzyl N-(1-aminobutyl)carbamate
CID 3840640
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide (CID 118486457) is N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide is CCCC(NC(=O)c1cnn(CCO)c1OCc1ccccc1)C(CC)CC(C)C.
What is the InChIKey of N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is KACZKVDAURUVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-5-10-22(20(6-2)15-18(3)4)26-23(29)21-16-25-27(13-14-28)24(21)30-17-19-11-8-7-9-12-19/h7-9,11-12,16,18,20,22,28H,5-6,10,13-15,17H2,1-4H3,(H,26,29).
What are the key properties of N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide?
N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 4.43, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-7-methyloctan-4-yl)-1-(2-hydroxyethyl)-5-phenylmethoxypyrazole-4-carboxamide is sourced from PubChem (CID 118486457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).