1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide

C14H14FN3O — CID 60976922

IUPAC1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-10(2-4-11)14(6-7-14)13(19)16-9-12-5-8-17-18-12/h1-5,8H,6-7,9H2,(H,16,19)(H,17,18)
InChIKeyWQKRJZOEYMDODI-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.90
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 60976922) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
PubChem CID60976922
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-10(2-4-11)14(6-7-14)13(19)16-9-12-5-8-17-18-12/h1-5,8H,6-7,9H2,(H,16,19)(H,17,18)
InChIKeyWQKRJZOEYMDODI-UHFFFAOYSA-N
XLogP1.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 112558317
2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103514034
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 110438266
1-(4-fluorophenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 64545703
1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 91630268
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 115594402
1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392369
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 110438262
1-(4-fluorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 110437942
1-(methoxymethyl)-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 122564924

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide (CID 60976922) is 1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccn[nH]1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is WQKRJZOEYMDODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-11-3-1-10(2-4-11)14(6-7-14)13(19)16-9-12-5-8-17-18-12/h1-5,8H,6-7,9H2,(H,16,19)(H,17,18).
What are the key properties of 1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 60976922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).