(2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide

C16H20N8O — CID 95331748

IUPAC(2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide
SMILESCC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1cnn(CC)c1
InChIInChI=1S/C16H20N8O/c1-3-14(15(25)18-12-10-17-23(4-2)11-12)19-16-20-21-22-24(16)13-8-6-5-7-9-13/h5-11,14H,3-4H2,1-2H3,(H,18,25)(H,19,20,22)/t14-/m1/s1
InChIKeyWBQSUFLCEPZXEA-CQSZACIVSA-N
MW340.39 g/mol
LogP1.71
Rot. Bonds7

About (2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide

(2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide (PubChem CID 95331748) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is (2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide
PubChem CID95331748
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name(2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide
SMILESCC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1cnn(CC)c1
InChIInChI=1S/C16H20N8O/c1-3-14(15(25)18-12-10-17-23(4-2)11-12)19-16-20-21-22-24(16)13-8-6-5-7-9-13/h5-11,14H,3-4H2,1-2H3,(H,18,25)(H,19,20,22)/t14-/m1/s1
InChIKeyWBQSUFLCEPZXEA-CQSZACIVSA-N
XLogP1.71
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide?
The IUPAC name of (2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide (CID 95331748) is (2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide.
What is the SMILES notation for (2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide?
The canonical SMILES for (2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide is CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)Nc1cnn(CC)c1.
What is the InChIKey of (2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide?
The InChIKey is WBQSUFLCEPZXEA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N8O/c1-3-14(15(25)18-12-10-17-23(4-2)11-12)19-16-20-21-22-24(16)13-8-6-5-7-9-13/h5-11,14H,3-4H2,1-2H3,(H,18,25)(H,19,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide?
(2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide has a molecular weight of 340.39 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide is sourced from PubChem (CID 95331748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).