4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide

C18H25N7O3 — CID 165415367

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C18H25N7O3/c1-22-16(14(13-19-22)18(27)24-4-2-5-24)17(26)20-15-3-6-25(21-15)8-7-23-9-11-28-12-10-23/h3,6,13H,2,4-5,7-12H2,1H3,(H,20,21,26)
InChIKeyACIYYKFGOMHVCS-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.05
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide (PubChem CID 165415367) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide
PubChem CID165415367
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C18H25N7O3/c1-22-16(14(13-19-22)18(27)24-4-2-5-24)17(26)20-15-3-6-25(21-15)8-7-23-9-11-28-12-10-23/h3,6,13H,2,4-5,7-12H2,1H3,(H,20,21,26)
InChIKeyACIYYKFGOMHVCS-UHFFFAOYSA-N
XLogP0.05
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415385
4-(azetidine-1-carbonyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415409
4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415421
4-(azetidine-1-carbonyl)-1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 165368487
4-(azetidine-1-carbonyl)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415383
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415389
4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-5-methylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415394
4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415395
4-(azetidine-1-carbonyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415397
4-(azetidine-1-carbonyl)-N-[1-(cyclopropylmethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415405
4-(azetidine-1-carbonyl)-N-(1-cyclobutylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415417
4-(azetidine-1-carbonyl)-N-(1-tert-butylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415426

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide (CID 165415367) is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(CCN2CCOCC2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide?
The InChIKey is ACIYYKFGOMHVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-22-16(14(13-19-22)18(27)24-4-2-5-24)17(26)20-15-3-6-25(21-15)8-7-23-9-11-28-12-10-23/h3,6,13H,2,4-5,7-12H2,1H3,(H,20,21,26).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 165415367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).