3-(cyclopropylmethyl)-1-methylindazole

C12H14N2 — CID 142276732

IUPAC3-(cyclopropylmethyl)-1-methylindazole
SMILESCn1nc(CC2CC2)c2ccccc21
InChIInChI=1S/C12H14N2/c1-14-12-5-3-2-4-10(12)11(13-14)8-9-6-7-9/h2-5,9H,6-8H2,1H3
InChIKeyWDWURBWTTNNXQO-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.53
Rot. Bonds2

About 3-(cyclopropylmethyl)-1-methylindazole

3-(cyclopropylmethyl)-1-methylindazole (PubChem CID 142276732) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-methylindazole.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-methylindazole
PubChem CID142276732
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3-(cyclopropylmethyl)-1-methylindazole
SMILESCn1nc(CC2CC2)c2ccccc21
InChIInChI=1S/C12H14N2/c1-14-12-5-3-2-4-10(12)11(13-14)8-9-6-7-9/h2-5,9H,6-8H2,1H3
InChIKeyWDWURBWTTNNXQO-UHFFFAOYSA-N
XLogP2.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(piperidin-4-ylmethyl)indazole
CID 84692872
3-(azepan-3-ylmethyl)-1-methylindazole
CID 104680728
[4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011684
N-methyl-N-[(1-methylindazol-3-yl)methyl]hydroxylamine
CID 82604100
3-[(4-bromothiolan-3-yl)methyl]-1-methylindazole
CID 83190966
N-methyl-4-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxamide
CID 106780087
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
1-methyl-N-[(1-methylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 63378842
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
N-[(1-methylindazol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63000865
6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 115930088
3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
CID 80562974

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-methylindazole?
The IUPAC name of 3-(cyclopropylmethyl)-1-methylindazole (CID 142276732) is 3-(cyclopropylmethyl)-1-methylindazole.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-methylindazole?
The canonical SMILES for 3-(cyclopropylmethyl)-1-methylindazole is Cn1nc(CC2CC2)c2ccccc21.
What is the InChIKey of 3-(cyclopropylmethyl)-1-methylindazole?
The InChIKey is WDWURBWTTNNXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-14-12-5-3-2-4-10(12)11(13-14)8-9-6-7-9/h2-5,9H,6-8H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-1-methylindazole?
3-(cyclopropylmethyl)-1-methylindazole has a molecular weight of 186.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-methylindazole is sourced from PubChem (CID 142276732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).