2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide

C14H17N5O — CID 126663604

IUPAC2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide
SMILESC=Cc1c(-c2cnn(C(C)(C)C(N)=O)c2)ccnc1N
InChIInChI=1S/C14H17N5O/c1-4-10-11(5-6-17-12(10)15)9-7-18-19(8-9)14(2,3)13(16)20/h4-8H,1H2,2-3H3,(H2,15,17)(H2,16,20)
InChIKeyUYILIPFCKUOKQS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.39
Rot. Bonds4

About 2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide

2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide (PubChem CID 126663604) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide
PubChem CID126663604
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide
SMILESC=Cc1c(-c2cnn(C(C)(C)C(N)=O)c2)ccnc1N
InChIInChI=1S/C14H17N5O/c1-4-10-11(5-6-17-12(10)15)9-7-18-19(8-9)14(2,3)13(16)20/h4-8H,1H2,2-3H3,(H2,15,17)(H2,16,20)
InChIKeyUYILIPFCKUOKQS-UHFFFAOYSA-N
XLogP1.39
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide (CID 126663604) is 2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide is C=Cc1c(-c2cnn(C(C)(C)C(N)=O)c2)ccnc1N.
What is the InChIKey of 2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide?
The InChIKey is UYILIPFCKUOKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-4-10-11(5-6-17-12(10)15)9-7-18-19(8-9)14(2,3)13(16)20/h4-8H,1H2,2-3H3,(H2,15,17)(H2,16,20).
What are the key properties of 2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide?
2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 271.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 126663604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).