N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide

C26H30N4O2 — CID 4011810

IUPACN-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(CC(C)C)C(=O)C2CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-18(2)16-29(26(32)21-11-12-21)17-25(31)27-24-15-23(20-7-5-4-6-8-20)28-30(24)22-13-9-19(3)10-14-22/h4-10,13-15,18,21H,11-12,16-17H2,1-3H3,(H,27,31)
InChIKeyDUYHRIKOULDKCJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.68
Rot. Bonds8

About N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide

N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide (PubChem CID 4011810) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
PubChem CID4011810
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(CC(C)C)C(=O)C2CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-18(2)16-29(26(32)21-11-12-21)17-25(31)27-24-15-23(20-7-5-4-6-8-20)28-30(24)22-13-9-19(3)10-14-22/h4-10,13-15,18,21H,11-12,16-17H2,1-3H3,(H,27,31)
InChIKeyDUYHRIKOULDKCJ-UHFFFAOYSA-N
XLogP4.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 1060914
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42732235
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42732528
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 42732118
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 42741294
2-ethyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 5107350
trans-(1R,2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 1052040
N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopentanecarboxamide
CID 1056436
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
N-[2-[[1-(3,4-dichlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 42732455
ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
CID 42732122
4-methyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4669802

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The IUPAC name of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide (CID 4011810) is N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide is Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(CC(C)C)C(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
The InChIKey is DUYHRIKOULDKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18(2)16-29(26(32)21-11-12-21)17-25(31)27-24-15-23(20-7-5-4-6-8-20)28-30(24)22-13-9-19(3)10-14-22/h4-10,13-15,18,21H,11-12,16-17H2,1-3H3,(H,27,31).
What are the key properties of N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide?
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)cyclopropanecarboxamide is sourced from PubChem (CID 4011810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).