1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide

C18H17ClN6O2 — CID 90047409

IUPAC1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2ncc(Cl)cn2)c1
InChIInChI=1S/C18H17ClN6O2/c19-14-8-21-18(22-9-14)25-11-13(7-23-25)17(26)24-15-3-1-12(2-4-15)16-10-20-5-6-27-16/h1-4,7-9,11,16,20H,5-6,10H2,(H,24,26)
InChIKeyYFMHWRSMCPAJGR-UHFFFAOYSA-N
MW384.83 g/mol
LogP2.23
Rot. Bonds4

About 1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide

1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide (PubChem CID 90047409) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is 1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
PubChem CID90047409
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC Name1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2ncc(Cl)cn2)c1
InChIInChI=1S/C18H17ClN6O2/c19-14-8-21-18(22-9-14)25-11-13(7-23-25)17(26)24-15-3-1-12(2-4-15)16-10-20-5-6-27-16/h1-4,7-9,11,16,20H,5-6,10H2,(H,24,26)
InChIKeyYFMHWRSMCPAJGR-UHFFFAOYSA-N
XLogP2.23
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(5-chloropyrimidin-2-yl)pyrazol-4-yl]-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 158287543
N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide
CID 90047286
1-(5-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 90047494
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;hydrochloride
CID 90047492
1-(5-bromo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;1-(5-iodo-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 158653280
N-(4-morpholin-2-ylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 90047385
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 90047611
1-(6-cyanopyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide
CID 90047328
N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride
CID 90047467
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087810
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride
CID 71087819
1-(3-chloropyrazin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-3-carboxamide;hydrochloride
CID 89262472

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide (CID 90047409) is 1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1cnn(-c2ncc(Cl)cn2)c1.
What is the InChIKey of 1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is YFMHWRSMCPAJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O2/c19-14-8-21-18(22-9-14)25-11-13(7-23-25)17(26)24-15-3-1-12(2-4-15)16-10-20-5-6-27-16/h1-4,7-9,11,16,20H,5-6,10H2,(H,24,26).
What are the key properties of 1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide?
1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 384.83 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrimidin-2-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90047409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).