5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine

C11H20N4 — CID 66011650

IUPAC5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(C)CC1CC1
InChIInChI=1S/C11H20N4/c1-4-15-11(10(12)8(2)13-15)14(3)7-9-5-6-9/h9H,4-7,12H2,1-3H3
InChIKeyBZENCSNNRCPPBX-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.64
Rot. Bonds4

About 5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine

5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine (PubChem CID 66011650) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine
PubChem CID66011650
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(C)CC1CC1
InChIInChI=1S/C11H20N4/c1-4-15-11(10(12)8(2)13-15)14(3)7-9-5-6-9/h9H,4-7,12H2,1-3H3
InChIKeyBZENCSNNRCPPBX-UHFFFAOYSA-N
XLogP1.64
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine (CID 66011650) is 5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1N(C)CC1CC1.
What is the InChIKey of 5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine?
The InChIKey is BZENCSNNRCPPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-15-11(10(12)8(2)13-15)14(3)7-9-5-6-9/h9H,4-7,12H2,1-3H3.
What are the key properties of 5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine?
5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclopropylmethyl)-1-ethyl-5-N,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 66011650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).