(3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C26H29FN4O3 — CID 89476605

IUPAC(3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)c(OC(C)C)c2)c1
InChIInChI=1S/C26H29FN4O3/c1-4-6-17-7-5-8-18(11-17)22-14-24(29-26(33)19-12-25(32)28-15-19)30-31(22)20-9-10-21(27)23(13-20)34-16(2)3/h5,7-11,13-14,16,19H,4,6,12,15H2,1-3H3,(H,28,32)(H,29,30,33)/t19-/m0/s1
InChIKeyNMPALWSHDKHXAP-IBGZPJMESA-N
MW464.54 g/mol
LogP4.49
Rot. Bonds8

About (3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 89476605) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is (3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID89476605
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name(3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)c(OC(C)C)c2)c1
InChIInChI=1S/C26H29FN4O3/c1-4-6-17-7-5-8-18(11-17)22-14-24(29-26(33)19-12-25(32)28-15-19)30-31(22)20-9-10-21(27)23(13-20)34-16(2)3/h5,7-11,13-14,16,19H,4,6,12,15H2,1-3H3,(H,28,32)(H,29,30,33)/t19-/m0/s1
InChIKeyNMPALWSHDKHXAP-IBGZPJMESA-N
XLogP4.49
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 89476605) is (3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)c(OC(C)C)c2)c1.
What is the InChIKey of (3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NMPALWSHDKHXAP-IBGZPJMESA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-4-6-17-7-5-8-18(11-17)22-14-24(29-26(33)19-12-25(32)28-15-19)30-31(22)20-9-10-21(27)23(13-20)34-16(2)3/h5,7-11,13-14,16,19H,4,6,12,15H2,1-3H3,(H,28,32)(H,29,30,33)/t19-/m0/s1.
What are the key properties of (3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(4-fluoro-3-propan-2-yloxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 89476605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).