N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

C20H21N5O2 — CID 51317105

IUPACN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H21N5O2/c26-20(18-12-17(23-24-18)16-4-2-1-3-5-16)22-14-15-6-7-19(21-13-15)25-8-10-27-11-9-25/h1-7,12-13H,8-11,14H2,(H,22,26)(H,23,24)
InChIKeyINPKDFTZUFJRFA-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.24
Rot. Bonds5

About N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 51317105) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID51317105
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)nc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H21N5O2/c26-20(18-12-17(23-24-18)16-4-2-1-3-5-16)22-14-15-6-7-19(21-13-15)25-8-10-27-11-9-25/h1-7,12-13H,8-11,14H2,(H,22,26)(H,23,24)
InChIKeyINPKDFTZUFJRFA-UHFFFAOYSA-N
XLogP2.24
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47043334
N,N-dimethyl-5-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]methyl]pyridine-2-carboxamide
CID 166232226
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylmethoxybenzamide
CID 18283258
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 16602352
6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 43038503
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439

Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 51317105) is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is INPKDFTZUFJRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(18-12-17(23-24-18)16-4-2-1-3-5-16)22-14-15-6-7-19(21-13-15)25-8-10-27-11-9-25/h1-7,12-13H,8-11,14H2,(H,22,26)(H,23,24).
What are the key properties of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51317105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).