1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide

C14H14FN3O — CID 169140900

IUPAC1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1(Cc2ccccc2F)CC1
InChIInChI=1S/C14H14FN3O/c15-11-4-2-1-3-10(11)9-14(6-7-14)13(19)17-12-5-8-16-18-12/h1-5,8H,6-7,9H2,(H2,16,17,18,19)
InChIKeyGLRMYZZUNHOQED-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.51
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide

1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 169140900) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
PubChem CID169140900
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1(Cc2ccccc2F)CC1
InChIInChI=1S/C14H14FN3O/c15-11-4-2-1-3-10(11)9-14(6-7-14)13(19)17-12-5-8-16-18-12/h1-5,8H,6-7,9H2,(H2,16,17,18,19)
InChIKeyGLRMYZZUNHOQED-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
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CID 71920081
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CID 115183079
1-(2-chlorophenyl)-3-(1H-pyrazol-5-yl)urea
CID 47388450
1-(1H-pyrazol-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
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4-[(2-fluorophenyl)methyl]-1-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 110111295
4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide (CID 169140900) is 1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1ccn[nH]1)C1(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is GLRMYZZUNHOQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-11-4-2-1-3-10(11)9-14(6-7-14)13(19)17-12-5-8-16-18-12/h1-5,8H,6-7,9H2,(H2,16,17,18,19).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 169140900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).