3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

C15H18N4 — CID 43662482

IUPAC3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESc1ccc2c(c1)ccn2CCCNCc1ccn[nH]1
InChIInChI=1S/C15H18N4/c1-2-5-15-13(4-1)7-11-19(15)10-3-8-16-12-14-6-9-17-18-14/h1-2,4-7,9,11,16H,3,8,10,12H2,(H,17,18)
InChIKeyUKKKYTQLSGUVRH-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.54
Rot. Bonds6

About 3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (PubChem CID 43662482) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
PubChem CID43662482
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESc1ccc2c(c1)ccn2CCCNCc1ccn[nH]1
InChIInChI=1S/C15H18N4/c1-2-5-15-13(4-1)7-11-19(15)10-3-8-16-12-14-6-9-17-18-14/h1-2,4-7,9,11,16H,3,8,10,12H2,(H,17,18)
InChIKeyUKKKYTQLSGUVRH-UHFFFAOYSA-N
XLogP2.54
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-indol-1-ylpropylamino)methyl]phenol
CID 28716078
3-indol-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
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3-piperidin-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 43662417
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
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3-indol-1-ylpropan-1-amine
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CID 139540347
1-(3-iodopropyl)indole
CID 11323600
1-(3-fluoropropyl)indole
CID 81113690
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 111341753
1-(1H-pyrazol-5-yl)indole
CID 23117277
1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 111342033

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (CID 43662482) is 3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is c1ccc2c(c1)ccn2CCCNCc1ccn[nH]1.
What is the InChIKey of 3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The InChIKey is UKKKYTQLSGUVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-5-15-13(4-1)7-11-19(15)10-3-8-16-12-14-6-9-17-18-14/h1-2,4-7,9,11,16H,3,8,10,12H2,(H,17,18).
What are the key properties of 3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine has a molecular weight of 254.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 43662482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).