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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Related Compounds

2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CID 645436
4,5,6,11-Tetrahydro-1h-Pyrazolo[4',3':6,7]cyclohepta[1,2-B]indole
CID 135566619
1H-indol-3-amine
CID 230280
4-Methylindole
CID 85282
5-Vinyl-3-pyridinecarbonitrile, 22
CID 44251905
5-Vinyl-3-pyridinecarbonitrile, 23
CID 44473015
1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 142509033
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
7-Methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 659102

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).