N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

C22H30N4O2 — CID 55775104

IUPACN-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
SMILESCC(CNC(=O)c1nn(-c2ccccc2)c2c1CCCCC2)N1CCOCC1
InChIInChI=1S/C22H30N4O2/c1-17(25-12-14-28-15-13-25)16-23-22(27)21-19-10-6-3-7-11-20(19)26(24-21)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,23,27)
InChIKeyGFCNASKLIIFQDN-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.59
Rot. Bonds5

About N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (PubChem CID 55775104) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
PubChem CID55775104
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
SMILESCC(CNC(=O)c1nn(-c2ccccc2)c2c1CCCCC2)N1CCOCC1
InChIInChI=1S/C22H30N4O2/c1-17(25-12-14-28-15-13-25)16-23-22(27)21-19-10-6-3-7-11-20(19)26(24-21)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,23,27)
InChIKeyGFCNASKLIIFQDN-UHFFFAOYSA-N
XLogP2.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46400266
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
N-(2-hydroxyethyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 78888197
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37000360
N-(2-morpholin-4-ylpropyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 51078106
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
1-(4-chlorophenyl)-N-[2-(methylamino)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 120829458
N-[(4-methylsulfonylphenyl)methyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 60511744
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
N-[3-(methylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119430820
N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25376653

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (CID 55775104) is N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is CC(CNC(=O)c1nn(-c2ccccc2)c2c1CCCCC2)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is GFCNASKLIIFQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17(25-12-14-28-15-13-25)16-23-22(27)21-19-10-6-3-7-11-20(19)26(24-21)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,23,27).
What are the key properties of N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?
N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylpropyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55775104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).