propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate

C20H27N3O3 — CID 55746406

IUPACpropan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate
SMILESCC(C)Cc1cc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)n[nH]1
InChIInChI=1S/C20H27N3O3/c1-13(2)10-16-11-18(23-22-16)20(25)21-17(12-19(24)26-14(3)4)15-8-6-5-7-9-15/h5-9,11,13-14,17H,10,12H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyJHXIMUALZFROEY-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.42
Rot. Bonds8

About propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate

propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate (PubChem CID 55746406) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate
PubChem CID55746406
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Namepropan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate
SMILESCC(C)Cc1cc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)n[nH]1
InChIInChI=1S/C20H27N3O3/c1-13(2)10-16-11-18(23-22-16)20(25)21-17(12-19(24)26-14(3)4)15-8-6-5-7-9-15/h5-9,11,13-14,17H,10,12H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyJHXIMUALZFROEY-UHFFFAOYSA-N
XLogP3.42
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 61032689
propan-2-yl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate
CID 55464119
propan-2-yl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoate
CID 119695273
propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate
CID 56545987
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 167867029
propan-2-yl 3-[(3-methylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 46657556
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330
N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644
propan-2-yl 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-3-phenylpropanoate
CID 46686826
propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
CID 46483434

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate (CID 55746406) is propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate is CC(C)Cc1cc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)n[nH]1.
What is the InChIKey of propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is JHXIMUALZFROEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13(2)10-16-11-18(23-22-16)20(25)21-17(12-19(24)26-14(3)4)15-8-6-5-7-9-15/h5-9,11,13-14,17H,10,12H2,1-4H3,(H,21,25)(H,22,23).
What are the key properties of propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate?
propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 357.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 55746406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).