(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide

C17H21N7O — CID 96560248

IUPAC(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1cnn(C(C)(C)C)c1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H21N7O/c1-12(16(25)19-14-10-18-23(11-14)17(2,3)4)24-21-15(20-22-24)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,19,25)/t12-/m1/s1
InChIKeySUFYVBSEUYEEBZ-GFCCVEGCSA-N
MW339.40 g/mol
LogP2.49
Rot. Bonds4

About (2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide

(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide (PubChem CID 96560248) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is (2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
PubChem CID96560248
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1cnn(C(C)(C)C)c1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H21N7O/c1-12(16(25)19-14-10-18-23(11-14)17(2,3)4)24-21-15(20-22-24)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,19,25)/t12-/m1/s1
InChIKeySUFYVBSEUYEEBZ-GFCCVEGCSA-N
XLogP2.49
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 97059058
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 1149424
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 75440170
N-(6-cyclopropylpyridazin-3-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 71869195
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
2-amino-N-(1-tert-butylpyrazol-4-yl)propanamide
CID 119307372
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
(2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 95782037

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide?
The IUPAC name of (2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide (CID 96560248) is (2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide?
The canonical SMILES for (2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide is C[C@H](C(=O)Nc1cnn(C(C)(C)C)c1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of (2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide?
The InChIKey is SUFYVBSEUYEEBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12(16(25)19-14-10-18-23(11-14)17(2,3)4)24-21-15(20-22-24)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,19,25)/t12-/m1/s1.
What are the key properties of (2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide?
(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide is sourced from PubChem (CID 96560248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).