N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide

C15H14ClFN4O — CID 155957425

IUPACN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide
SMILESO=C(Nc1ccn(-c2ncccc2Cl)n1)C1CC2(C1)CC2F
InChIInChI=1S/C15H14ClFN4O/c16-10-2-1-4-18-13(10)21-5-3-12(20-21)19-14(22)9-6-15(7-9)8-11(15)17/h1-5,9,11H,6-8H2,(H,19,20,22)
InChIKeyFUXHQZOOKNZRAI-UHFFFAOYSA-N
MW320.76 g/mol
LogP3.00
Rot. Bonds3

About N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide

N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide (PubChem CID 155957425) has the molecular formula C15H14ClFN4O and a molecular weight of 320.76 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide
PubChem CID155957425
Molecular FormulaC15H14ClFN4O
Molecular Weight320.76 g/mol
Exact Mass320.08
IUPAC NameN-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide
SMILESO=C(Nc1ccn(-c2ncccc2Cl)n1)C1CC2(C1)CC2F
InChIInChI=1S/C15H14ClFN4O/c16-10-2-1-4-18-13(10)21-5-3-12(20-21)19-14(22)9-6-15(7-9)8-11(15)17/h1-5,9,11H,6-8H2,(H,19,20,22)
InChIKeyFUXHQZOOKNZRAI-UHFFFAOYSA-N
XLogP3.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016655
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CID 130684274
2,4-dichloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]benzamide
CID 99626160
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-propan-2-ylpyridine-2-carboxamide
CID 155948532
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 155960964
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-1-methyl-5-propylpyrazole-3-carboxamide
CID 155958138
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-5-fluorothiophene-2-sulfonamide
CID 167845656
2-(3-bromopyrazol-1-yl)-3-chloropyridine
CID 174603551
3-chloro-2-[3-(difluoromethyl)pyrazol-1-yl]pyridine
CID 141187015
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91842692
3-chloro-2-(3-methylsulfinylpyrazol-1-yl)pyridine
CID 91004341
9-amino-N-[1-(2-chlorophenyl)pyrazol-3-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993023

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide (CID 155957425) is N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide is O=C(Nc1ccn(-c2ncccc2Cl)n1)C1CC2(C1)CC2F.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide?
The InChIKey is FUXHQZOOKNZRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O/c16-10-2-1-4-18-13(10)21-5-3-12(20-21)19-14(22)9-6-15(7-9)8-11(15)17/h1-5,9,11H,6-8H2,(H,19,20,22).
What are the key properties of N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide?
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide has a molecular weight of 320.76 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-fluorospiro[2.3]hexane-5-carboxamide is sourced from PubChem (CID 155957425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).