1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine

C11H22N4 — CID 79578846

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCc1c(C(CN)N(C)C(C)C)cnn1C
InChIInChI=1S/C11H22N4/c1-8(2)14(4)11(6-12)10-7-13-15(5)9(10)3/h7-8,11H,6,12H2,1-5H3
InChIKeyFWFPHKGSJNIHGG-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.07
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine

1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 79578846) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID79578846
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCc1c(C(CN)N(C)C(C)C)cnn1C
InChIInChI=1S/C11H22N4/c1-8(2)14(4)11(6-12)10-7-13-15(5)9(10)3/h7-8,11H,6,12H2,1-5H3
InChIKeyFWFPHKGSJNIHGG-UHFFFAOYSA-N
XLogP1.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 79579449
1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79584531
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82734604
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 79579452
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 79578770
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
CID 79578411
N-[(5-bromothiophen-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 79579106
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 79578592
3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79595015
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid
CID 79595352

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine (CID 79578846) is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine is Cc1c(C(CN)N(C)C(C)C)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is FWFPHKGSJNIHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-8(2)14(4)11(6-12)10-7-13-15(5)9(10)3/h7-8,11H,6,12H2,1-5H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine?
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 79578846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).