5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

C16H20ClN5O2 — CID 37489266

IUPAC5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C16H20ClN5O2/c1-11-13(14(17)21(2)20-11)16(23)19-10-12-4-3-5-18-15(12)22-6-8-24-9-7-22/h3-5H,6-10H2,1-2H3,(H,19,23)
InChIKeyUCEMLSAQTSXZIJ-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.54
Rot. Bonds4

About 5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 37489266) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID37489266
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C16H20ClN5O2/c1-11-13(14(17)21(2)20-11)16(23)19-10-12-4-3-5-18-15(12)22-6-8-24-9-7-22/h3-5H,6-10H2,1-2H3,(H,19,23)
InChIKeyUCEMLSAQTSXZIJ-UHFFFAOYSA-N
XLogP1.54
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 58081243
4-[[(1S,5R)-8-(5-chloro-1-methylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1-methyl-1,8-naphthyridin-2-one
CID 90644467
3-Methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923416
3-Methyl-7-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923417
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 56835862
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 58081367
5-(1-methylpyrazol-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094430
7-[1-(2-Methoxyethyl)pyrazol-4-yl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959610
7-[1-(2-Hydroxyethyl)pyrazol-4-yl]-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959719
2-Amino-5-[1-(2-methoxy-ethyl)-1H-pyrazol-4-yl]-N-(2-methyl-pyridine-4-yl)-nicotinamide
CID 71061613
2-Amino-N-(3-chloro-pyridin-4-yl)-5-[1-(2-methoxy-ethyl-)-1H-pyrazol-4-yl]nicotinamide
CID 71062476
4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137049200

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (CID 37489266) is 5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is UCEMLSAQTSXZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-11-13(14(17)21(2)20-11)16(23)19-10-12-4-3-5-18-15(12)22-6-8-24-9-7-22/h3-5H,6-10H2,1-2H3,(H,19,23).
What are the key properties of 5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 37489266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).