N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C22H26N6O — CID 167802741

IUPACN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN1CCC(n2cc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)cn2)CC1
InChIInChI=1S/C22H26N6O/c1-26-12-10-17(11-13-26)27-15-16(14-23-27)24-22(29)21-19-8-5-9-20(19)28(25-21)18-6-3-2-4-7-18/h2-4,6-7,14-15,17H,5,8-13H2,1H3,(H,24,29)
InChIKeyNDVRCSRTYQQVSD-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.08
Rot. Bonds4

About N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 167802741) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID167802741
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN1CCC(n2cc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)cn2)CC1
InChIInChI=1S/C22H26N6O/c1-26-12-10-17(11-13-26)27-15-16(14-23-27)24-22(29)21-19-8-5-9-20(19)28(25-21)18-6-3-2-4-7-18/h2-4,6-7,14-15,17H,5,8-13H2,1H3,(H,24,29)
InChIKeyNDVRCSRTYQQVSD-UHFFFAOYSA-N
XLogP3.08
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24587001
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 167966444
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167753412
5,6-dimethyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 167934182
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25443984
N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483
N-[3-[(2-methoxyacetyl)amino]phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46585012
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
[4-(methylamino)piperidin-1-yl]-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 119560961
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
N-(4-fluoro-2-methylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24586962

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 167802741) is N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CN1CCC(n2cc(NC(=O)c3nn(-c4ccccc4)c4c3CCC4)cn2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is NDVRCSRTYQQVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-26-12-10-17(11-13-26)27-15-16(14-23-27)24-22(29)21-19-8-5-9-20(19)28(25-21)18-6-3-2-4-7-18/h2-4,6-7,14-15,17H,5,8-13H2,1H3,(H,24,29).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 167802741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).