(4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide

C22H23N5O2 — CID 71287882

IUPAC(4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1
InChIInChI=1S/C22H23N5O2/c1-2-7-15-8-6-9-16(12-15)19-13-20(25-21(28)18-14-23-22(29)24-18)26-27(19)17-10-4-3-5-11-17/h3-6,8-13,18H,2,7,14H2,1H3,(H2,23,24,29)(H,25,26,28)/t18-/m1/s1
InChIKeyHBNFJPMMDNAWAE-GOSISDBHSA-N
MW389.46 g/mol
LogP3.11
Rot. Bonds6

About (4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide

(4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide (PubChem CID 71287882) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide
PubChem CID71287882
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1
InChIInChI=1S/C22H23N5O2/c1-2-7-15-8-6-9-16(12-15)19-13-20(25-21(28)18-14-23-22(29)24-18)26-27(19)17-10-4-3-5-11-17/h3-6,8-13,18H,2,7,14H2,1H3,(H2,23,24,29)(H,25,26,28)/t18-/m1/s1
InChIKeyHBNFJPMMDNAWAE-GOSISDBHSA-N
XLogP3.11
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide (CID 71287882) is (4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1.
What is the InChIKey of (4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide?
The InChIKey is HBNFJPMMDNAWAE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-7-15-8-6-9-16(12-15)19-13-20(25-21(28)18-14-23-22(29)24-18)26-27(19)17-10-4-3-5-11-17/h3-6,8-13,18H,2,7,14H2,1H3,(H2,23,24,29)(H,25,26,28)/t18-/m1/s1.
What are the key properties of (4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide?
(4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 71287882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).