1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide

C17H22N4O2 — CID 2738499

IUPAC1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nn1C
InChIInChI=1S/C17H22N4O2/c1-13-11-16(19-20(13)2)17(22)18-12-14-3-5-15(6-4-14)21-7-9-23-10-8-21/h3-6,11H,7-10,12H2,1-2H3,(H,18,22)
InChIKeyPFBDQYGAWLIGKS-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.50
Rot. Bonds4

About 1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 2738499) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID2738499
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nn1C
InChIInChI=1S/C17H22N4O2/c1-13-11-16(19-20(13)2)17(22)18-12-14-3-5-15(6-4-14)21-7-9-23-10-8-21/h3-6,11H,7-10,12H2,1-2H3,(H,18,22)
InChIKeyPFBDQYGAWLIGKS-UHFFFAOYSA-N
XLogP1.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
CID 135319024
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
CID 21252891
4-chloro-1-ethyl-N-[3-(4-morpholinylmethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 843671
N5-(4-methylphenyl)-1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxamide
CID 2744532
Ab-chfupyca
CID 122213879
3-tert-butyl-N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 145964832
[3-Tert-butyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-morpholin-4-ylmethanone
CID 2747308
N-(4-fluorobenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015293
3-methyl-N-(4-methylbenzyl)-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015294
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9266746
1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-(4-fluorophenyl)-3-piperidinamine
CID 24790221

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide (CID 2738499) is 1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is PFBDQYGAWLIGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-11-16(19-20(13)2)17(22)18-12-14-3-5-15(6-4-14)21-7-9-23-10-8-21/h3-6,11H,7-10,12H2,1-2H3,(H,18,22).
What are the key properties of 1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 2738499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).