N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide

C25H25N3O — CID 51352847

IUPACN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C25H25N3O/c29-24(25(14-15-25)19-4-2-1-3-5-19)26-20-10-12-21(13-11-20)28-23(18-8-9-18)16-22(27-28)17-6-7-17/h1-5,10-13,16-18H,6-9,14-15H2,(H,26,29)
InChIKeyBOXHKHYHOILBMO-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.30
Rot. Bonds6

About N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide

N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 51352847) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID51352847
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C25H25N3O/c29-24(25(14-15-25)19-4-2-1-3-5-19)26-20-10-12-21(13-11-20)28-23(18-8-9-18)16-22(27-28)17-6-7-17/h1-5,10-13,16-18H,6-9,14-15H2,(H,26,29)
InChIKeyBOXHKHYHOILBMO-UHFFFAOYSA-N
XLogP5.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide (CID 51352847) is N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is BOXHKHYHOILBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c29-24(25(14-15-25)19-4-2-1-3-5-19)26-20-10-12-21(13-11-20)28-23(18-8-9-18)16-22(27-28)17-6-7-17/h1-5,10-13,16-18H,6-9,14-15H2,(H,26,29).
What are the key properties of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide?
N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 51352847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).