N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C17H20FN3O — CID 56821455

IUPACN-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)C2(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C17H20FN3O/c1-16(2,3)21-11-14(10-19-21)20-15(22)17(8-9-17)12-4-6-13(18)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,20,22)
InChIKeyJXVNVBFOIKJRFP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.45
Rot. Bonds3

About N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 56821455) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID56821455
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)C2(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C17H20FN3O/c1-16(2,3)21-11-14(10-19-21)20-15(22)17(8-9-17)12-4-6-13(18)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,20,22)
InChIKeyJXVNVBFOIKJRFP-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696592
2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696919
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 51090234
2-[4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696186
N-(1-tert-butylpyrazol-4-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 86861979
N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928511
N-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119516222
2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696531
N-(2-tert-butylphenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113198352
1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 56815888
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 3861884
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82726303

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 56821455) is N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide is CC(C)(C)n1cc(NC(=O)C2(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is JXVNVBFOIKJRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-16(2,3)21-11-14(10-19-21)20-15(22)17(8-9-17)12-4-6-13(18)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56821455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).