N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

C16H21N5 — CID 103134392

IUPACN-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)c1nn(C)c2ccccc12
InChIInChI=1S/C16H21N5/c1-4-10-17-16(13-9-11-20(2)18-13)15-12-7-5-6-8-14(12)21(3)19-15/h5-9,11,16-17H,4,10H2,1-3H3
InChIKeyXVUUCYVCSIMUBV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.40
Rot. Bonds5

About N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 103134392) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID103134392
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)c1nn(C)c2ccccc12
InChIInChI=1S/C16H21N5/c1-4-10-17-16(13-9-11-20(2)18-13)15-12-7-5-6-8-14(12)21(3)19-15/h5-9,11,16-17H,4,10H2,1-3H3
InChIKeyXVUUCYVCSIMUBV-UHFFFAOYSA-N
XLogP2.40
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylindazol-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 103126319
2-ethyl-1-(1-methylindazol-3-yl)-N-propylbutan-1-amine
CID 103127777
N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 103130771
N-[(2-tert-butylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135640
N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729081
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135352
N-[1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 103128049
N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103125829
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82808455
N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 83174760
N-[(4,5-dimethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134486
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106645666

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine (CID 103134392) is N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccn(C)n1)c1nn(C)c2ccccc12.
What is the InChIKey of N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is XVUUCYVCSIMUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-4-10-17-16(13-9-11-20(2)18-13)15-12-7-5-6-8-14(12)21(3)19-15/h5-9,11,16-17H,4,10H2,1-3H3.
What are the key properties of N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 103134392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).