(2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide

C15H17N5O — CID 104910842

IUPAC(2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C15H17N5O/c16-13(15(21)18-9-11-5-6-19-20-11)7-10-8-17-14-4-2-1-3-12(10)14/h1-6,8,13,17H,7,9,16H2,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyOHZTUELSRVLEQW-CYBMUJFWSA-N
MW283.34 g/mol
LogP1.08
Rot. Bonds5

About (2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide

(2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 104910842) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID104910842
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name(2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESN[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C15H17N5O/c16-13(15(21)18-9-11-5-6-19-20-11)7-10-8-17-14-4-2-1-3-12(10)14/h1-6,8,13,17H,7,9,16H2,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyOHZTUELSRVLEQW-CYBMUJFWSA-N
XLogP1.08
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-N-(1H-imidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 77043322
2-amino-3-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 57128204
2-amino-3-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384838
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
CID 104940105
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 104910842) is (2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide is N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccn[nH]1.
What is the InChIKey of (2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is OHZTUELSRVLEQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N5O/c16-13(15(21)18-9-11-5-6-19-20-11)7-10-8-17-14-4-2-1-3-12(10)14/h1-6,8,13,17H,7,9,16H2,(H,18,21)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide?
(2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 283.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-indol-3-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 104910842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).