1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine

C16H20N4 — CID 82870619

IUPAC1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine
SMILESCC(N)Cc1cccc2c1ccn2Cc1ccn(C)n1
InChIInChI=1S/C16H20N4/c1-12(17)10-13-4-3-5-16-15(13)7-9-20(16)11-14-6-8-19(2)18-14/h3-9,12H,10-11,17H2,1-2H3
InChIKeyWABYGCKSYUZVDL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.31
Rot. Bonds4

About 1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine

1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine (PubChem CID 82870619) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine
PubChem CID82870619
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine
SMILESCC(N)Cc1cccc2c1ccn2Cc1ccn(C)n1
InChIInChI=1S/C16H20N4/c1-12(17)10-13-4-3-5-16-15(13)7-9-20(16)11-14-6-8-19(2)18-14/h3-9,12H,10-11,17H2,1-2H3
InChIKeyWABYGCKSYUZVDL-UHFFFAOYSA-N
XLogP2.31
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine
CID 82870272
1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile
CID 107919071
1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbothioamide
CID 107919313
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
CID 82871680
4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
CID 82792719
4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
CID 116623519
N-methyl-1-(1-propylindol-4-yl)propan-2-amine
CID 115106942
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
CID 66404653
(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104943545
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
CID 82878160

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine (CID 82870619) is 1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine is CC(N)Cc1cccc2c1ccn2Cc1ccn(C)n1.
What is the InChIKey of 1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine?
The InChIKey is WABYGCKSYUZVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12(17)10-13-4-3-5-16-15(13)7-9-20(16)11-14-6-8-19(2)18-14/h3-9,12H,10-11,17H2,1-2H3.
What are the key properties of 1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine?
1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine is sourced from PubChem (CID 82870619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).