N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide

C24H25FN4O2 — CID 118304941

IUPACN-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESO=C(Nc1cnn(-c2ccc(F)cc2)c1)c1cccc(C2CC2NC2CCOCC2)c1
InChIInChI=1S/C24H25FN4O2/c25-18-4-6-21(7-5-18)29-15-20(14-26-29)28-24(30)17-3-1-2-16(12-17)22-13-23(22)27-19-8-10-31-11-9-19/h1-7,12,14-15,19,22-23,27H,8-11,13H2,(H,28,30)
InChIKeyWRPPLARTSRBIMT-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.89
Rot. Bonds6

About N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide

N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide (PubChem CID 118304941) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
PubChem CID118304941
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESO=C(Nc1cnn(-c2ccc(F)cc2)c1)c1cccc(C2CC2NC2CCOCC2)c1
InChIInChI=1S/C24H25FN4O2/c25-18-4-6-21(7-5-18)29-15-20(14-26-29)28-24(30)17-3-1-2-16(12-17)22-13-23(22)27-19-8-10-31-11-9-19/h1-7,12,14-15,19,22-23,27H,8-11,13H2,(H,28,30)
InChIKeyWRPPLARTSRBIMT-UHFFFAOYSA-N
XLogP3.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide (CID 118304941) is N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide is O=C(Nc1cnn(-c2ccc(F)cc2)c1)c1cccc(C2CC2NC2CCOCC2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The InChIKey is WRPPLARTSRBIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-18-4-6-21(7-5-18)29-15-20(14-26-29)28-24(30)17-3-1-2-16(12-17)22-13-23(22)27-19-8-10-31-11-9-19/h1-7,12,14-15,19,22-23,27H,8-11,13H2,(H,28,30).
What are the key properties of N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).