3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol

C12H24N4O — CID 66012284

IUPAC3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol
SMILESCCn1nc(C)c(N)c1NCC(O)(CC)CC
InChIInChI=1S/C12H24N4O/c1-5-12(17,6-2)8-14-11-10(13)9(4)15-16(11)7-3/h14,17H,5-8,13H2,1-4H3
InChIKeyIBKMCNLLZVYEPH-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.76
Rot. Bonds6

About 3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol

3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol (PubChem CID 66012284) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol
PubChem CID66012284
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol
SMILESCCn1nc(C)c(N)c1NCC(O)(CC)CC
InChIInChI=1S/C12H24N4O/c1-5-12(17,6-2)8-14-11-10(13)9(4)15-16(11)7-3/h14,17H,5-8,13H2,1-4H3
InChIKeyIBKMCNLLZVYEPH-UHFFFAOYSA-N
XLogP1.76
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol
CID 106183736
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 114092970
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
1-ethyl-3-methyl-5-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4,5-diamine
CID 106426553
5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011257
5-N-(2-ethoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012621
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
3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66018131
5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012649

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol (CID 66012284) is 3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol is CCn1nc(C)c(N)c1NCC(O)(CC)CC.
What is the InChIKey of 3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol?
The InChIKey is IBKMCNLLZVYEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-12(17,6-2)8-14-11-10(13)9(4)15-16(11)7-3/h14,17H,5-8,13H2,1-4H3.
What are the key properties of 3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol?
3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol has a molecular weight of 240.35 g/mol, XLogP of 1.76, 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-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 66012284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).