N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C21H29N5O — CID 110621461

IUPACN-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN1CCN(C(CNC(=O)c2n[nH]c3c2CCCC3)c2ccccc2)CC1
InChIInChI=1S/C21H29N5O/c1-25-11-13-26(14-12-25)19(16-7-3-2-4-8-16)15-22-21(27)20-17-9-5-6-10-18(17)23-24-20/h2-4,7-8,19H,5-6,9-15H2,1H3,(H,22,27)(H,23,24)
InChIKeyMEDMOGLSZRUBQN-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110621461) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110621461
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN1CCN(C(CNC(=O)c2n[nH]c3c2CCCC3)c2ccccc2)CC1
InChIInChI=1S/C21H29N5O/c1-25-11-13-26(14-12-25)19(16-7-3-2-4-8-16)15-22-21(27)20-17-9-5-6-10-18(17)23-24-20/h2-4,7-8,19H,5-6,9-15H2,1H3,(H,22,27)(H,23,24)
InChIKeyMEDMOGLSZRUBQN-UHFFFAOYSA-N
XLogP2.01
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide 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

N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110622743
2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605
1-methyl-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-6-oxopyridine-3-carboxamide
CID 46964107
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 3455772
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112504483
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111422528
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
(2-acetamido-1-phenylethyl) 1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxylate
CID 91652114
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 124721703

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110621461) is N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CN1CCN(C(CNC(=O)c2n[nH]c3c2CCCC3)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is MEDMOGLSZRUBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-25-11-13-26(14-12-25)19(16-7-3-2-4-8-16)15-22-21(27)20-17-9-5-6-10-18(17)23-24-20/h2-4,7-8,19H,5-6,9-15H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110621461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).