(2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide

C14H23N5O — CID 99822977

IUPAC(2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESC[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)N(C)CCC#N
InChIInChI=1S/C14H23N5O/c1-11(13(20)18(5)8-6-7-15)17-12-9-16-19(10-12)14(2,3)4/h9-11,17H,6,8H2,1-5H3/t11-/m1/s1
InChIKeyOVNFJQNVRNWUCZ-LLVKDONJSA-N
MW277.37 g/mol
LogP1.81
Rot. Bonds5

About (2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide

(2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide (PubChem CID 99822977) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
PubChem CID99822977
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESC[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)N(C)CCC#N
InChIInChI=1S/C14H23N5O/c1-11(13(20)18(5)8-6-7-15)17-12-9-16-19(10-12)14(2,3)4/h9-11,17H,6,8H2,1-5H3/t11-/m1/s1
InChIKeyOVNFJQNVRNWUCZ-LLVKDONJSA-N
XLogP1.81
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide (CID 99822977) is (2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide is C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)N(C)CCC#N.
What is the InChIKey of (2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide?
The InChIKey is OVNFJQNVRNWUCZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(13(20)18(5)8-6-7-15)17-12-9-16-19(10-12)14(2,3)4/h9-11,17H,6,8H2,1-5H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide?
(2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide is sourced from PubChem (CID 99822977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).