6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine

C12H14N6 — CID 114159574

IUPAC6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
SMILESCC(Nc1cc2[nH]ncc2cc1N)c1cn[nH]c1
InChIInChI=1S/C12H14N6/c1-7(9-5-14-15-6-9)17-12-3-11-8(2-10(12)13)4-16-18-11/h2-7,17H,13H2,1H3,(H,14,15)(H,16,18)
InChIKeyBXMHGONHERXWEB-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.04
Rot. Bonds3

About 6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine

6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine (PubChem CID 114159574) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
PubChem CID114159574
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
SMILESCC(Nc1cc2[nH]ncc2cc1N)c1cn[nH]c1
InChIInChI=1S/C12H14N6/c1-7(9-5-14-15-6-9)17-12-3-11-8(2-10(12)13)4-16-18-11/h2-7,17H,13H2,1H3,(H,14,15)(H,16,18)
InChIKeyBXMHGONHERXWEB-UHFFFAOYSA-N
XLogP2.04
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217155
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722
6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489454
4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217068
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489383
2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
CID 107490904
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
CID 114176711
3-amino-4-[1-(1H-pyrazol-4-yl)ethylamino]benzamide
CID 106217149
4-(difluoromethoxy)-5-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217128
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
CID 107489402
1-N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106217098

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine (CID 114159574) is 6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine is CC(Nc1cc2[nH]ncc2cc1N)c1cn[nH]c1.
What is the InChIKey of 6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine?
The InChIKey is BXMHGONHERXWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-7(9-5-14-15-6-9)17-12-3-11-8(2-10(12)13)4-16-18-11/h2-7,17H,13H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine?
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine has a molecular weight of 242.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine is sourced from PubChem (CID 114159574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).