4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine

C11H16ClN5 — CID 55044588

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine
SMILESCCNc1c(Cn2cc(Cl)cn2)c(C)nn1C
InChIInChI=1S/C11H16ClN5/c1-4-13-11-10(8(2)15-16(11)3)7-17-6-9(12)5-14-17/h5-6,13H,4,7H2,1-3H3
InChIKeyLFVPPVDEIFPJNG-UHFFFAOYSA-N
MW253.74 g/mol
LogP2.06
Rot. Bonds4

About 4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine

4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine (PubChem CID 55044588) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine
PubChem CID55044588
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine
SMILESCCNc1c(Cn2cc(Cl)cn2)c(C)nn1C
InChIInChI=1S/C11H16ClN5/c1-4-13-11-10(8(2)15-16(11)3)7-17-6-9(12)5-14-17/h5-6,13H,4,7H2,1-3H3
InChIKeyLFVPPVDEIFPJNG-UHFFFAOYSA-N
XLogP2.06
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine (CID 55044588) is 4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine is CCNc1c(Cn2cc(Cl)cn2)c(C)nn1C.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine?
The InChIKey is LFVPPVDEIFPJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-4-13-11-10(8(2)15-16(11)3)7-17-6-9(12)5-14-17/h5-6,13H,4,7H2,1-3H3.
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine?
4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine has a molecular weight of 253.74 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 55044588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).