3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide

C13H25N5O — CID 106275315

IUPAC3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide
SMILESCCCc1nn(C)c(NCC(C)(C)C(=O)NC)c1N
InChIInChI=1S/C13H25N5O/c1-6-7-9-10(14)11(18(5)17-9)16-8-13(2,3)12(19)15-4/h16H,6-8,14H2,1-5H3,(H,15,19)
InChIKeyYJXJECFCXNPDBW-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.14
Rot. Bonds6

About 3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide

3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106275315) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106275315
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide
SMILESCCCc1nn(C)c(NCC(C)(C)C(=O)NC)c1N
InChIInChI=1S/C13H25N5O/c1-6-7-9-10(14)11(18(5)17-9)16-8-13(2,3)12(19)15-4/h16H,6-8,14H2,1-5H3,(H,15,19)
InChIKeyYJXJECFCXNPDBW-UHFFFAOYSA-N
XLogP1.14
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide (CID 106275315) is 3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide is CCCc1nn(C)c(NCC(C)(C)C(=O)NC)c1N.
What is the InChIKey of 3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is YJXJECFCXNPDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-6-7-9-10(14)11(18(5)17-9)16-8-13(2,3)12(19)15-4/h16H,6-8,14H2,1-5H3,(H,15,19).
What are the key properties of 3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide?
3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 267.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106275315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).