N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide

C14H14FN3O — CID 155956840

IUPACN-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide
SMILESO=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
InChIInChI=1S/C14H14FN3O/c15-12-4-3-10(13-5-6-17-18-13)7-11(12)14(19)16-8-9-1-2-9/h3-7,9H,1-2,8H2,(H,16,19)(H,17,18)
InChIKeyNWNGFYLIIPDLME-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.36
Rot. Bonds4

About N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide

N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide (PubChem CID 155956840) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide
PubChem CID155956840
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide
SMILESO=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F
InChIInChI=1S/C14H14FN3O/c15-12-4-3-10(13-5-6-17-18-13)7-11(12)14(19)16-8-9-1-2-9/h3-7,9H,1-2,8H2,(H,16,19)(H,17,18)
InChIKeyNWNGFYLIIPDLME-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide
CID 155957417
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 106124628
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
CID 53181032
2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55579201

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide (CID 155956840) is N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide is O=C(NCC1CC1)c1cc(-c2ccn[nH]2)ccc1F.
What is the InChIKey of N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide?
The InChIKey is NWNGFYLIIPDLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-12-4-3-10(13-5-6-17-18-13)7-11(12)14(19)16-8-9-1-2-9/h3-7,9H,1-2,8H2,(H,16,19)(H,17,18).
What are the key properties of N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide?
N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 155956840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).