N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide

C22H21FN4O — CID 134325382

IUPACN-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3CC3)c2)c1
InChIInChI=1S/C22H21FN4O/c1-13-6-21(23)20(22(28)26-17-4-5-17)8-19(13)16-10-25-27(12-16)18-7-15(9-24-11-18)14-2-3-14/h6-12,14,17H,2-5H2,1H3,(H,26,28)
InChIKeyHXBDNPHXKSRSOK-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.15
Rot. Bonds5

About N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide

N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 134325382) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID134325382
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3CC3)c2)c1
InChIInChI=1S/C22H21FN4O/c1-13-6-21(23)20(22(28)26-17-4-5-17)8-19(13)16-10-25-27(12-16)18-7-15(9-24-11-18)14-2-3-14/h6-12,14,17H,2-5H2,1H3,(H,26,28)
InChIKeyHXBDNPHXKSRSOK-UHFFFAOYSA-N
XLogP4.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 118203189
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5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
CID 155557232
CID 155557232
2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide
CID 155818571
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N-Cyclopropyl-3-(8-(4-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-4-methylbenzamide
CID 52948220
N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
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CID 118020300
N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
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5-(3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-6-phenylnicotinamide
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N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-(2-methylpyrazol-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 134325382) is N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is HXBDNPHXKSRSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-13-6-21(23)20(22(28)26-17-4-5-17)8-19(13)16-10-25-27(12-16)18-7-15(9-24-11-18)14-2-3-14/h6-12,14,17H,2-5H2,1H3,(H,26,28).
What are the key properties of N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 376.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-(5-cyclopropyl-3-pyridinyl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 134325382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).