N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine

C17H20N4 — CID 82870272

IUPACN-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine
SMILESCn1ccc(Cn2ccc3c(CNC4CC4)cccc32)n1
InChIInChI=1S/C17H20N4/c1-20-9-7-15(19-20)12-21-10-8-16-13(3-2-4-17(16)21)11-18-14-5-6-14/h2-4,7-10,14,18H,5-6,11-12H2,1H3
InChIKeyPSVUHIYYKYPCGV-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.68
Rot. Bonds5

About N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine

N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine (PubChem CID 82870272) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine
PubChem CID82870272
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine
SMILESCn1ccc(Cn2ccc3c(CNC4CC4)cccc32)n1
InChIInChI=1S/C17H20N4/c1-20-9-7-15(19-20)12-21-10-8-16-13(3-2-4-17(16)21)11-18-14-5-6-14/h2-4,7-10,14,18H,5-6,11-12H2,1H3
InChIKeyPSVUHIYYKYPCGV-UHFFFAOYSA-N
XLogP2.68
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine
CID 82870619
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
N-[[1-(3,3,3-trifluoropropyl)indol-4-yl]methyl]cyclopropanamine
CID 64567360
1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile
CID 107919071
1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbothioamide
CID 107919313
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82871062
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
CID 82871680
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylindole
CID 116620406
N-[(1-methylpyrazol-3-yl)methyl]-1-oxothian-4-amine
CID 82881570
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine
CID 102914709

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine (CID 82870272) is N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine is Cn1ccc(Cn2ccc3c(CNC4CC4)cccc32)n1.
What is the InChIKey of N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine?
The InChIKey is PSVUHIYYKYPCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-20-9-7-15(19-20)12-21-10-8-16-13(3-2-4-17(16)21)11-18-14-5-6-14/h2-4,7-10,14,18H,5-6,11-12H2,1H3.
What are the key properties of N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine?
N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine has a molecular weight of 280.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82870272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).