2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine

C17H20N4 — CID 97305873

IUPAC2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine
SMILESC[C@@H](C1CC1)n1nccc1NCc1cccc2[nH]ccc12
InChIInChI=1S/C17H20N4/c1-12(13-5-6-13)21-17(8-10-20-21)19-11-14-3-2-4-16-15(14)7-9-18-16/h2-4,7-10,12-13,18-19H,5-6,11H2,1H3/t12-/m0/s1
InChIKeyLUJYVPRQFDMOFA-LBPRGKRZSA-N
MW280.38 g/mol
LogP3.95
Rot. Bonds5

About 2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine

2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine (PubChem CID 97305873) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine
PubChem CID97305873
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine
SMILESC[C@@H](C1CC1)n1nccc1NCc1cccc2[nH]ccc12
InChIInChI=1S/C17H20N4/c1-12(13-5-6-13)21-17(8-10-20-21)19-11-14-3-2-4-16-15(14)7-9-18-16/h2-4,7-10,12-13,18-19H,5-6,11H2,1H3/t12-/m0/s1
InChIKeyLUJYVPRQFDMOFA-LBPRGKRZSA-N
XLogP3.95
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine (CID 97305873) is 2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine is C[C@@H](C1CC1)n1nccc1NCc1cccc2[nH]ccc12.
What is the InChIKey of 2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine?
The InChIKey is LUJYVPRQFDMOFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(13-5-6-13)21-17(8-10-20-21)19-11-14-3-2-4-16-15(14)7-9-18-16/h2-4,7-10,12-13,18-19H,5-6,11H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine?
2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine has a molecular weight of 280.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 97305873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).