1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide

C16H18FN3O — CID 110438266

IUPAC1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H18FN3O/c1-11-12(10-19-20-11)9-18-15(21)16(7-2-8-16)13-3-5-14(17)6-4-13/h3-6,10H,2,7-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyKWNZSIPBTZGMRF-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.60
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 110438266) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide
PubChem CID110438266
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H18FN3O/c1-11-12(10-19-20-11)9-18-15(21)16(7-2-8-16)13-3-5-14(17)6-4-13/h3-6,10H,2,7-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyKWNZSIPBTZGMRF-UHFFFAOYSA-N
XLogP2.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 49491563
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 110438262
1-cyano-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 80598871
1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 60976922
1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 138996652
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
N-(2-aminoethyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119384814
1-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 64555262

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide (CID 110438266) is 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide is Cc1[nH]ncc1CNC(=O)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is KWNZSIPBTZGMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11-12(10-19-20-11)9-18-15(21)16(7-2-8-16)13-3-5-14(17)6-4-13/h3-6,10H,2,7-9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.60, 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-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 110438266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).