(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide

C17H21N5O — CID 97147572

IUPAC(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide
SMILESCC[C@@H](C(=O)NCCCn1ncc2ccccc21)n1cccn1
InChIInChI=1S/C17H21N5O/c1-2-15(21-12-6-10-19-21)17(23)18-9-5-11-22-16-8-4-3-7-14(16)13-20-22/h3-4,6-8,10,12-13,15H,2,5,9,11H2,1H3,(H,18,23)/t15-/m0/s1
InChIKeySNLVQHGXWLVBDB-HNNXBMFYSA-N
MW311.39 g/mol
LogP2.39
Rot. Bonds7

About (2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide

(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide (PubChem CID 97147572) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide
PubChem CID97147572
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide
SMILESCC[C@@H](C(=O)NCCCn1ncc2ccccc21)n1cccn1
InChIInChI=1S/C17H21N5O/c1-2-15(21-12-6-10-19-21)17(23)18-9-5-11-22-16-8-4-3-7-14(16)13-20-22/h3-4,6-8,10,12-13,15H,2,5,9,11H2,1H3,(H,18,23)/t15-/m0/s1
InChIKeySNLVQHGXWLVBDB-HNNXBMFYSA-N
XLogP2.39
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 91843238
(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 124844866
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892
N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
CID 131934698
(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97149299
N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72885643
N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 72845118
(2S)-N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 124730361
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 97133199
5-indazol-1-yl-N-propan-2-ylpentan-1-amine
CID 62449017
5-indazol-1-yl-N-propylpentan-1-amine
CID 62448825
4-indazol-1-ylbutan-1-ol
CID 62142094

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide (CID 97147572) is (2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide is CC[C@@H](C(=O)NCCCn1ncc2ccccc21)n1cccn1.
What is the InChIKey of (2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide?
The InChIKey is SNLVQHGXWLVBDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-15(21-12-6-10-19-21)17(23)18-9-5-11-22-16-8-4-3-7-14(16)13-20-22/h3-4,6-8,10,12-13,15H,2,5,9,11H2,1H3,(H,18,23)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide?
(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide has a molecular weight of 311.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 97147572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).