2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol

C9H18N4O — CID 170556584

IUPAC2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol
SMILESCc1[nH]ncc1NCCN(C)CCO
InChIInChI=1S/C9H18N4O/c1-8-9(7-11-12-8)10-3-4-13(2)5-6-14/h7,10,14H,3-6H2,1-2H3,(H,11,12)
InChIKeyPHECNYQBZBFXTR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.05
Rot. Bonds6

About 2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol

2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol (PubChem CID 170556584) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol
PubChem CID170556584
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol
SMILESCc1[nH]ncc1NCCN(C)CCO
InChIInChI=1S/C9H18N4O/c1-8-9(7-11-12-8)10-3-4-13(2)5-6-14/h7,10,14H,3-6H2,1-2H3,(H,11,12)
InChIKeyPHECNYQBZBFXTR-UHFFFAOYSA-N
XLogP0.05
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol with MolForge

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Related Compounds

4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine
CID 114995368
2-[2-[(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl-methylamino]ethanol
CID 164581122
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 20784611
3-amino-3-methyl-N-(5-methyl-1H-pyrazol-4-yl)butanamide
CID 83618200
N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 126995059
4-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4,5-diamine
CID 114988266
N',N'-dimethyl-N-(5-nitro-1H-pyrazol-4-yl)propane-1,3-diamine
CID 114988005
2-methyl-2-(methylamino)-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 83618057
2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 118972141
2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 130719724
N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol (CID 170556584) is 2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol is Cc1[nH]ncc1NCCN(C)CCO.
What is the InChIKey of 2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol?
The InChIKey is PHECNYQBZBFXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-8-9(7-11-12-8)10-3-4-13(2)5-6-14/h7,10,14H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol?
2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol has a molecular weight of 198.27 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(5-methyl-1H-pyrazol-4-yl)amino]ethyl]amino]ethanol is sourced from PubChem (CID 170556584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).