N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride

C15H23ClF3N5O — CID 120810634

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)C1CCc2cn[nH]c2C1
InChIInChI=1S/C15H22F3N5O.ClH/c16-15(17,18)13(23-5-3-19-4-6-23)9-20-14(24)10-1-2-11-8-21-22-12(11)7-10;/h8,10,13,19H,1-7,9H2,(H,20,24)(H,21,22);1H
InChIKeySHVLUINMIFRKLD-UHFFFAOYSA-N
MW381.83 g/mol
LogP0.89
Rot. Bonds4

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride (PubChem CID 120810634) has the molecular formula C15H23ClF3N5O and a molecular weight of 381.83 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride
PubChem CID120810634
Molecular FormulaC15H23ClF3N5O
Molecular Weight381.83 g/mol
Exact Mass381.15
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride
SMILESCl.O=C(NCC(N1CCNCC1)C(F)(F)F)C1CCc2cn[nH]c2C1
InChIInChI=1S/C15H22F3N5O.ClH/c16-15(17,18)13(23-5-3-19-4-6-23)9-20-14(24)10-1-2-11-8-21-22-12(11)7-10;/h8,10,13,19H,1-7,9H2,(H,20,24)(H,21,22);1H
InChIKeySHVLUINMIFRKLD-UHFFFAOYSA-N
XLogP0.89
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclohexylmethyl)-3-[2-oxo-2-(2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-2-piperazinone
CID 56900947
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920573
(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71971097
N,N-diethyl-4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazine-1-carboxamide
CID 75426007
N-(3-bicyclo[3.1.0]hexanyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 128897734
(5S)-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 164631535
(6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 164636087
7-azaspiro[3.5]nonan-7-yl-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]methanone
CID 164642059
N-cyclopropyl-4-(3-fluoro-2,3-dihydropyridin-2-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)cyclohex-3-ene-1-carboxamide
CID 89519741
N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 75475607
1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]piperidine-4-carboxamide
CID 75475686
4,4-difluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexane-1-carboxamide
CID 81932762

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride (CID 120810634) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride is Cl.O=C(NCC(N1CCNCC1)C(F)(F)F)C1CCc2cn[nH]c2C1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride?
The InChIKey is SHVLUINMIFRKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O.ClH/c16-15(17,18)13(23-5-3-19-4-6-23)9-20-14(24)10-1-2-11-8-21-22-12(11)7-10;/h8,10,13,19H,1-7,9H2,(H,20,24)(H,21,22);1H.
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride has a molecular weight of 381.83 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide;hydrochloride is sourced from PubChem (CID 120810634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).