2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol

C15H28N4O — CID 61447056

IUPAC2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol
SMILESCCCCN(CCO)c1c(CNC2CC2)c(C)nn1C
InChIInChI=1S/C15H28N4O/c1-4-5-8-19(9-10-20)15-14(11-16-13-6-7-13)12(2)17-18(15)3/h13,16,20H,4-11H2,1-3H3
InChIKeyKMAFUYIWWWQJLB-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.58
Rot. Bonds9

About 2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol

2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol (PubChem CID 61447056) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol
PubChem CID61447056
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol
SMILESCCCCN(CCO)c1c(CNC2CC2)c(C)nn1C
InChIInChI=1S/C15H28N4O/c1-4-5-8-19(9-10-20)15-14(11-16-13-6-7-13)12(2)17-18(15)3/h13,16,20H,4-11H2,1-3H3
InChIKeyKMAFUYIWWWQJLB-UHFFFAOYSA-N
XLogP1.58
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 43280696
4-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-dimethylpyrazol-5-amine
CID 43280325
2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide
CID 61448917
N-butyl-N-ethyl-1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280756
N-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine
CID 43280902
2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
CID 43374144
2-[ethyl-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 60981461
2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
CID 61448439
5-[butyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 63756528
2-[cyclopropyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 54994821
2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol
CID 113467892
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43569438

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol (CID 61447056) is 2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol is CCCCN(CCO)c1c(CNC2CC2)c(C)nn1C.
What is the InChIKey of 2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol?
The InChIKey is KMAFUYIWWWQJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-5-8-19(9-10-20)15-14(11-16-13-6-7-13)12(2)17-18(15)3/h13,16,20H,4-11H2,1-3H3.
What are the key properties of 2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol?
2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol has a molecular weight of 280.42 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol is sourced from PubChem (CID 61447056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).