N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide

C19H18FN7O2 — CID 166371043

IUPACN-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)n1
InChIInChI=1S/C19H18FN7O2/c1-12-10-13(20)2-3-16(12)27-5-4-15(25-27)19(28)22-17-14(11-21)18(24-23-17)26-6-8-29-9-7-26/h2-5,10H,6-9H2,1H3,(H2,22,23,24,28)
InChIKeyCECOFYIEQJEEJO-UHFFFAOYSA-N
MW395.40 g/mol
LogP2.00
Rot. Bonds4

About N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide

N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide (PubChem CID 166371043) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
PubChem CID166371043
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC NameN-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)n1
InChIInChI=1S/C19H18FN7O2/c1-12-10-13(20)2-3-16(12)27-5-4-15(25-27)19(28)22-17-14(11-21)18(24-23-17)26-6-8-29-9-7-26/h2-5,10H,6-9H2,1H3,(H2,22,23,24,28)
InChIKeyCECOFYIEQJEEJO-UHFFFAOYSA-N
XLogP2.00
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-morpholin-4-ylbenzamide
CID 154877200
N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-6-methylpyridine-3-carboxamide
CID 154877207
1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28974076
1-(4-fluoro-2-methylphenyl)-N-(5-methyl-1H-imidazol-2-yl)pyrazole-3-carboxamide
CID 75484539
N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-cyclobutylsulfonylbenzamide
CID 167865252
4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524577
N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 87073349
1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
CID 119043465
N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 86787736
7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid
CID 120524082
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide (CID 166371043) is N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide is Cc1cc(F)ccc1-n1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)n1.
What is the InChIKey of N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is CECOFYIEQJEEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O2/c1-12-10-13(20)2-3-16(12)27-5-4-15(25-27)19(28)22-17-14(11-21)18(24-23-17)26-6-8-29-9-7-26/h2-5,10H,6-9H2,1H3,(H2,22,23,24,28).
What are the key properties of N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 395.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 166371043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).