3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide

C13H25N5O — CID 66012063

IUPAC3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1c(N)c(C)nn1CC
InChIInChI=1S/C13H25N5O/c1-5-9(3)16-11(19)7-8-15-13-12(14)10(4)17-18(13)6-2/h9,15H,5-8,14H2,1-4H3,(H,16,19)
InChIKeyMNBKTTYWPXCUFD-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.51
Rot. Bonds7

About 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide (PubChem CID 66012063) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide
PubChem CID66012063
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1c(N)c(C)nn1CC
InChIInChI=1S/C13H25N5O/c1-5-9(3)16-11(19)7-8-15-13-12(14)10(4)17-18(13)6-2/h9,15H,5-8,14H2,1-4H3,(H,16,19)
InChIKeyMNBKTTYWPXCUFD-UHFFFAOYSA-N
XLogP1.51
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
CID 66012859
1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
CID 113287312
5-N-(2-ethoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012621
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984
4-amino-1-ethyl-N-(3-ethylpentan-2-yl)-3-methylpyrazole-5-carboxamide
CID 66125647
5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011257
1-ethyl-3-methyl-5-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4,5-diamine
CID 106426553
1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine
CID 66013458
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124501
3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66012284

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide (CID 66012063) is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNc1c(N)c(C)nn1CC.
What is the InChIKey of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide?
The InChIKey is MNBKTTYWPXCUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-9(3)16-11(19)7-8-15-13-12(14)10(4)17-18(13)6-2/h9,15H,5-8,14H2,1-4H3,(H,16,19).
What are the key properties of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide?
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide has a molecular weight of 267.38 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 66012063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).