4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide

C17H18ClFN4O — CID 118903584

IUPAC4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(CC2(F)CNC2)cc1)c1n[nH]c(C2CC2)c1Cl
InChIInChI=1S/C17H18ClFN4O/c18-13-14(11-3-4-11)22-23-15(13)16(24)21-12-5-1-10(2-6-12)7-17(19)8-20-9-17/h1-2,5-6,11,20H,3-4,7-9H2,(H,21,24)(H,22,23)
InChIKeyHMAJBIPDJNPPOV-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.05
Rot. Bonds5

About 4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide

4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 118903584) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is 4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide
PubChem CID118903584
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(CC2(F)CNC2)cc1)c1n[nH]c(C2CC2)c1Cl
InChIInChI=1S/C17H18ClFN4O/c18-13-14(11-3-4-11)22-23-15(13)16(24)21-12-5-1-10(2-6-12)7-17(19)8-20-9-17/h1-2,5-6,11,20H,3-4,7-9H2,(H,21,24)(H,22,23)
InChIKeyHMAJBIPDJNPPOV-UHFFFAOYSA-N
XLogP3.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
CID 62077284
N-[4-(azetidin-3-ylsulfanyl)phenyl]-4-chloro-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-[4-(azetidin-3-ylsulfanyl)phenyl]-2-cyclopropylpyrimidine-5-carboxamide
CID 118903734
2-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 115729691
6-chloro-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]pyridine-3-carboxamide;N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 158319609
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-4-chloro-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 67233228
4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
CID 71855633
4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
CID 62075638
4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 129168353
4-amino-5-cyclopropyl-N-[4-(dimethylamino)phenyl]-1H-pyrazole-3-carboxamide
CID 62078614
4,5-dichloro-N-(4-chlorophenyl)-1H-pyrazole-3-carboxamide
CID 16659765
5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 164898264
(3R)-3-[(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 97233630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide (CID 118903584) is 4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(CC2(F)CNC2)cc1)c1n[nH]c(C2CC2)c1Cl.
What is the InChIKey of 4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HMAJBIPDJNPPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-13-14(11-3-4-11)22-23-15(13)16(24)21-12-5-1-10(2-6-12)7-17(19)8-20-9-17/h1-2,5-6,11,20H,3-4,7-9H2,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide?
4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclopropyl-N-[4-[(3-fluoroazetidin-3-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118903584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).