(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C6H12N4 — CID 93094324

IUPAC(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCn1cc([C@@H](N)CN)cn1
InChIInChI=1S/C6H12N4/c1-10-4-5(3-9-10)6(8)2-7/h3-4,6H,2,7-8H2,1H3/t6-/m0/s1
InChIKeyHIWAIHBATLLXPU-LURJTMIESA-N
MW140.19 g/mol
LogP-0.62
Rot. Bonds2

About (1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 93094324) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID93094324
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCn1cc([C@@H](N)CN)cn1
InChIInChI=1S/C6H12N4/c1-10-4-5(3-9-10)6(8)2-7/h3-4,6H,2,7-8H2,1H3/t6-/m0/s1
InChIKeyHIWAIHBATLLXPU-LURJTMIESA-N
XLogP-0.62
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280007
1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethanamine
CID 62551755
2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291360
1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
CID 115291117
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214712
N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280024
2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65138602

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 93094324) is (1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is Cn1cc([C@@H](N)CN)cn1.
What is the InChIKey of (1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is HIWAIHBATLLXPU-LURJTMIESA-N. The full InChI is InChI=1S/C6H12N4/c1-10-4-5(3-9-10)6(8)2-7/h3-4,6H,2,7-8H2,1H3/t6-/m0/s1.
What are the key properties of (1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 93094324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).