N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C26H29N3O3 — CID 45195424

IUPACN-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccc(OC2CCOC2)cc1)C1CCCC1
InChIInChI=1S/C26H29N3O3/c30-26(25-16-24(27-28-25)20-6-2-1-3-7-20)29(21-8-4-5-9-21)17-19-10-12-22(13-11-19)32-23-14-15-31-18-23/h1-3,6-7,10-13,16,21,23H,4-5,8-9,14-15,17-18H2,(H,27,28)
InChIKeyWBQUKQAJGUXOHT-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.83
Rot. Bonds7

About N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 45195424) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID45195424
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccc(OC2CCOC2)cc1)C1CCCC1
InChIInChI=1S/C26H29N3O3/c30-26(25-16-24(27-28-25)20-6-2-1-3-7-20)29(21-8-4-5-9-21)17-19-10-12-22(13-11-19)32-23-14-15-31-18-23/h1-3,6-7,10-13,16,21,23H,4-5,8-9,14-15,17-18H2,(H,27,28)
InChIKeyWBQUKQAJGUXOHT-UHFFFAOYSA-N
XLogP4.83
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-methoxy-N-[[4-(oxolan-3-yloxy)phenyl]methyl]acetamide
CID 45239699
3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117399119
N-(oxan-4-yl)-3-phenyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 90554656
N-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]acetamide
CID 42191123
N-cyclopropyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50976083
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
3-[4-(oxan-3-yloxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117467181
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87045985
N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide
CID 140502919
2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid
CID 167903833
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 45195424) is N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(c1cc(-c2ccccc2)n[nH]1)N(Cc1ccc(OC2CCOC2)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is WBQUKQAJGUXOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c30-26(25-16-24(27-28-25)20-6-2-1-3-7-20)29(21-8-4-5-9-21)17-19-10-12-22(13-11-19)32-23-14-15-31-18-23/h1-3,6-7,10-13,16,21,23H,4-5,8-9,14-15,17-18H2,(H,27,28).
What are the key properties of N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[4-(oxolan-3-yloxy)phenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45195424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).