4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide

C16H19ClFN5O2 — CID 118484961

IUPAC4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2cnc(C3CNCCO3)c(F)c2)c1Cl
InChIInChI=1S/C16H19ClFN5O2/c1-2-3-11-13(17)15(23-22-11)16(24)21-9-6-10(18)14(20-7-9)12-8-19-4-5-25-12/h6-7,12,19H,2-5,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyPEPSJTJXZVGFCO-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.46
Rot. Bonds5

About 4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide

4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 118484961) has the molecular formula C16H19ClFN5O2 and a molecular weight of 367.81 g/mol. Its IUPAC name is 4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID118484961
Molecular FormulaC16H19ClFN5O2
Molecular Weight367.81 g/mol
Exact Mass367.12
IUPAC Name4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2cnc(C3CNCCO3)c(F)c2)c1Cl
InChIInChI=1S/C16H19ClFN5O2/c1-2-3-11-13(17)15(23-22-11)16(24)21-9-6-10(18)14(20-7-9)12-8-19-4-5-25-12/h6-7,12,19H,2-5,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyPEPSJTJXZVGFCO-UHFFFAOYSA-N
XLogP2.46
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide
CID 118484989
5-ethyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118485076
4-chloro-5-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118484454
N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 118484974
4-chloro-N-[4-[[(2R)-2-methylmorpholin-2-yl]methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 129168353
bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid
CID 175814665
5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
CID 90133875
5-fluoro-6-[(2S)-morpholin-2-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyridin-3-amine
CID 125487816
4-chloro-3-ethoxy-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-5-carboxamide;4-chloro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyrazole-5-carboxamide
CID 158235252
3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 71087529
4-methyl-N-(6-morpholin-2-yl-3-pyridinyl)benzamide
CID 123703173
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
CID 144953548

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 118484961) is 4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)Nc2cnc(C3CNCCO3)c(F)c2)c1Cl.
What is the InChIKey of 4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is PEPSJTJXZVGFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5O2/c1-2-3-11-13(17)15(23-22-11)16(24)21-9-6-10(18)14(20-7-9)12-8-19-4-5-25-12/h6-7,12,19H,2-5,8H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide?
4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 367.81 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118484961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).