N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine

C15H19N5 — CID 103015728

IUPACN-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
SMILESCNCc1nn(CCc2cnn(C)c2)c2ccccc12
InChIInChI=1S/C15H19N5/c1-16-10-14-13-5-3-4-6-15(13)20(18-14)8-7-12-9-17-19(2)11-12/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyYKSDGFCZXUAZOM-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.73
Rot. Bonds5

About N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine

N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine (PubChem CID 103015728) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
PubChem CID103015728
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
SMILESCNCc1nn(CCc2cnn(C)c2)c2ccccc12
InChIInChI=1S/C15H19N5/c1-16-10-14-13-5-3-4-6-15(13)20(18-14)8-7-12-9-17-19(2)11-12/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeyYKSDGFCZXUAZOM-UHFFFAOYSA-N
XLogP1.73
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015702
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
N-methyl-1-[1-(2-propylsulfonylethyl)indazol-3-yl]methanamine
CID 106731962
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 103015801
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine
CID 103015036
1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55178017
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014288
N-methyl-1-[3-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999924
1-[1-[(2-chloro-5-fluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
CID 102620369
1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999649
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47466334
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine (CID 103015728) is N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine is CNCc1nn(CCc2cnn(C)c2)c2ccccc12.
What is the InChIKey of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine?
The InChIKey is YKSDGFCZXUAZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-16-10-14-13-5-3-4-6-15(13)20(18-14)8-7-12-9-17-19(2)11-12/h3-6,9,11,16H,7-8,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine?
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine is sourced from PubChem (CID 103015728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).