1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole

C16H24N4 — CID 134379965

IUPAC1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole
SMILESCC(C)N1CCN(Cc2cccc3c2cnn3C)CC1
InChIInChI=1S/C16H24N4/c1-13(2)20-9-7-19(8-10-20)12-14-5-4-6-16-15(14)11-17-18(16)3/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyIGLZNQUUSNOSIT-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.10
Rot. Bonds3

About 1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole

1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole (PubChem CID 134379965) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole.

Molecular Properties

Compound Name1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole
PubChem CID134379965
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole
SMILESCC(C)N1CCN(Cc2cccc3c2cnn3C)CC1
InChIInChI=1S/C16H24N4/c1-13(2)20-9-7-19(8-10-20)12-14-5-4-6-16-15(14)11-17-18(16)3/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyIGLZNQUUSNOSIT-UHFFFAOYSA-N
XLogP2.10
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylpiperazin-1-yl)methyl]-1-methylindazole
CID 134383206
1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole
CID 170862469
1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 170657560
1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole
CID 168918626
4-(fluoromethyl)-1-methylindazole
CID 84651809
3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62472253
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469718
1-[(2-benzylphenyl)methyl]-4-propan-2-ylpiperazine;(Z)-but-2-enedioic acid
CID 20840153
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
(R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide
CID 156778664

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole?
The IUPAC name of 1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole (CID 134379965) is 1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole.
What is the SMILES notation for 1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole?
The canonical SMILES for 1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole is CC(C)N1CCN(Cc2cccc3c2cnn3C)CC1.
What is the InChIKey of 1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole?
The InChIKey is IGLZNQUUSNOSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(2)20-9-7-19(8-10-20)12-14-5-4-6-16-15(14)11-17-18(16)3/h4-6,11,13H,7-10,12H2,1-3H3.
What are the key properties of 1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole?
1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole has a molecular weight of 272.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]indazole is sourced from PubChem (CID 134379965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).