N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine

C15H18N4 — CID 62999793

IUPACN-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NCc2cccc3[nH]ccc23)cn1
InChIInChI=1S/C15H18N4/c1-11(2)19-10-13(9-18-19)17-8-12-4-3-5-15-14(12)6-7-16-15/h3-7,9-11,16-17H,8H2,1-2H3
InChIKeySLSYBZATKRHYAA-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.56
Rot. Bonds4

About N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine

N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 62999793) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine
PubChem CID62999793
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NCc2cccc3[nH]ccc23)cn1
InChIInChI=1S/C15H18N4/c1-11(2)19-10-13(9-18-19)17-8-12-4-3-5-15-14(12)6-7-16-15/h3-7,9-11,16-17H,8H2,1-2H3
InChIKeySLSYBZATKRHYAA-UHFFFAOYSA-N
XLogP3.56
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine (CID 62999793) is N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine is CC(C)n1cc(NCc2cccc3[nH]ccc23)cn1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is SLSYBZATKRHYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11(2)19-10-13(9-18-19)17-8-12-4-3-5-15-14(12)6-7-16-15/h3-7,9-11,16-17H,8H2,1-2H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine?
N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 254.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62999793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).