N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide

C22H25N3O2 — CID 86897799

IUPACN-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C1CC1c1ccco1
InChIInChI=1S/C22H25N3O2/c1-14-19(22(2,3)4)24-25(15-9-6-5-7-10-15)20(14)23-21(26)17-13-16(17)18-11-8-12-27-18/h5-12,16-17H,13H2,1-4H3,(H,23,26)
InChIKeyWUQGUAUUEWCEJR-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.81
Rot. Bonds4

About N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide

N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 86897799) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID86897799
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C1CC1c1ccco1
InChIInChI=1S/C22H25N3O2/c1-14-19(22(2,3)4)24-25(15-9-6-5-7-10-15)20(14)23-21(26)17-13-16(17)18-11-8-12-27-18/h5-12,16-17H,13H2,1-4H3,(H,23,26)
InChIKeyWUQGUAUUEWCEJR-UHFFFAOYSA-N
XLogP4.81
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 86897799) is N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide is Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)C1CC1c1ccco1.
What is the InChIKey of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is WUQGUAUUEWCEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-19(22(2,3)4)24-25(15-9-6-5-7-10-15)20(14)23-21(26)17-13-16(17)18-11-8-12-27-18/h5-12,16-17H,13H2,1-4H3,(H,23,26).
What are the key properties of N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86897799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).