N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide

C26H31N3O3 — CID 93135964

IUPACN-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C1CC1
InChIInChI=1S/C26H31N3O3/c1-5-18(2)28(25(30)20-15-16-20)17-22-19(3)27-29(21-11-7-6-8-12-21)26(22)32-24-14-10-9-13-23(24)31-4/h6-14,18,20H,5,15-17H2,1-4H3/t18-/m0/s1
InChIKeyJCAMGIVTWAJRSS-SFHVURJKSA-N
MW433.55 g/mol
LogP5.52
Rot. Bonds9

About N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide

N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 93135964) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide
PubChem CID93135964
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide
SMILESCC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C1CC1
InChIInChI=1S/C26H31N3O3/c1-5-18(2)28(25(30)20-15-16-20)17-22-19(3)27-29(21-11-7-6-8-12-21)26(22)32-24-14-10-9-13-23(24)31-4/h6-14,18,20H,5,15-17H2,1-4H3/t18-/m0/s1
InChIKeyJCAMGIVTWAJRSS-SFHVURJKSA-N
XLogP5.52
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclobutanecarboxamide
CID 93135955
N-[(2S)-butan-2-yl]-4-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 93135948
N-[(2R)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide
CID 93135957
N-benzyl-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069000
N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069012
(2R)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol
CID 93217441
(2S)-1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propylamino]propan-2-ol
CID 93217442
1-[cyclopropyl-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 42843044
(2R)-1-[[(2S)-butan-2-yl]-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 99732052
N-(2-methoxyethyl)-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]acetamide
CID 71956935
1-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]hexan-2-ol
CID 46028287
N-[(2S)-butan-2-yl]-4-chloro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 93136014

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide (CID 93135964) is N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide is CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)C1CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is JCAMGIVTWAJRSS-SFHVURJKSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-5-18(2)28(25(30)20-15-16-20)17-22-19(3)27-29(21-11-7-6-8-12-21)26(22)32-24-14-10-9-13-23(24)31-4/h6-14,18,20H,5,15-17H2,1-4H3/t18-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide?
N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 433.55 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 93135964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).