(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide

C19H25N7O — CID 97059058

IUPAC(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCCc1c(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)cnn1CC(C)C
InChIInChI=1S/C19H25N7O/c1-5-17-16(11-20-25(17)12-13(2)3)21-19(27)14(4)26-23-18(22-24-26)15-9-7-6-8-10-15/h6-11,13-14H,5,12H2,1-4H3,(H,21,27)/t14-/m0/s1
InChIKeySZCHCWJZYHMMIG-AWEZNQCLSA-N
MW367.46 g/mol
LogP2.95
Rot. Bonds7

About (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide

(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide (PubChem CID 97059058) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide
PubChem CID97059058
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCCc1c(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)cnn1CC(C)C
InChIInChI=1S/C19H25N7O/c1-5-17-16(11-20-25(17)12-13(2)3)21-19(27)14(4)26-23-18(22-24-26)15-9-7-6-8-10-15/h6-11,13-14H,5,12H2,1-4H3,(H,21,27)/t14-/m0/s1
InChIKeySZCHCWJZYHMMIG-AWEZNQCLSA-N
XLogP2.95
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide?
The IUPAC name of (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide (CID 97059058) is (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide?
The canonical SMILES for (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide is CCc1c(NC(=O)[C@H](C)n2nnc(-c3ccccc3)n2)cnn1CC(C)C.
What is the InChIKey of (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide?
The InChIKey is SZCHCWJZYHMMIG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N7O/c1-5-17-16(11-20-25(17)12-13(2)3)21-19(27)14(4)26-23-18(22-24-26)15-9-7-6-8-10-15/h6-11,13-14H,5,12H2,1-4H3,(H,21,27)/t14-/m0/s1.
What are the key properties of (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide?
(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide has a molecular weight of 367.46 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide is sourced from PubChem (CID 97059058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).