N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C14H28N4 — CID 43125888

IUPACN,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCCN(CCCC)C(CN)c1cnn(C)c1
InChIInChI=1S/C14H28N4/c1-4-6-8-18(9-7-5-2)14(10-15)13-11-16-17(3)12-13/h11-12,14H,4-10,15H2,1-3H3
InChIKeyYFJDCNDHQWEXST-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.32
Rot. Bonds9

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

N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 43125888) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID43125888
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCCCN(CCCC)C(CN)c1cnn(C)c1
InChIInChI=1S/C14H28N4/c1-4-6-8-18(9-7-5-2)14(10-15)13-11-16-17(3)12-13/h11-12,14H,4-10,15H2,1-3H3
InChIKeyYFJDCNDHQWEXST-UHFFFAOYSA-N
XLogP2.32
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199885
N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43272781
N-benzyl-N-ethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43126047
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 54987034
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylethane-1,2-diamine
CID 103569442
N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
CID 43125913
N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60893091
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 55011601
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199868
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
1-(1-methylpyrazol-4-yl)hexylhydrazine
CID 105228484

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 43125888) is N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CCCCN(CCCC)C(CN)c1cnn(C)c1.
What is the InChIKey of N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is YFJDCNDHQWEXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-4-6-8-18(9-7-5-2)14(10-15)13-11-16-17(3)12-13/h11-12,14H,4-10,15H2,1-3H3.
What are the key properties of N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43125888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).