N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

C11H14FN3O — CID 126794125

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cc(C3CC3)[nH]n2)CC1F
InChIInChI=1S/C11H14FN3O/c1-11(5-8(11)12)10(16)13-9-4-7(14-15-9)6-2-3-6/h4,6,8H,2-3,5H2,1H3,(H2,13,14,15,16)
InChIKeyLJLDFZFHMFUQPI-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.97
Rot. Bonds3

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (PubChem CID 126794125) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
PubChem CID126794125
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cc(C3CC3)[nH]n2)CC1F
InChIInChI=1S/C11H14FN3O/c1-11(5-8(11)12)10(16)13-9-4-7(14-15-9)6-2-3-6/h4,6,8H,2-3,5H2,1H3,(H2,13,14,15,16)
InChIKeyLJLDFZFHMFUQPI-UHFFFAOYSA-N
XLogP1.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
CID 5330972
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methoxypropanamide
CID 72126640
N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 2819087
N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide
CID 89327754
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
CID 134796011
N-(3-cyclopropyl-1-methylpyrazol-5-yl)cyclopropanecarboxamide
CID 134797617
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 134798623
N-(3-cyclopropyl-1-methylpyrazol-5-yl)butanamide
CID 134799178
N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681579
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 47404991
2-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71847753
1-cyano-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide
CID 72126637

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (CID 126794125) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2cc(C3CC3)[nH]n2)CC1F.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The InChIKey is LJLDFZFHMFUQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-11(5-8(11)12)10(16)13-9-4-7(14-15-9)6-2-3-6/h4,6,8H,2-3,5H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 126794125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).