N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine

C14H15N5O — CID 63585846

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine
SMILESCOCCn1cc(Nc2cnnc3ccccc23)cn1
InChIInChI=1S/C14H15N5O/c1-20-7-6-19-10-11(8-16-19)17-14-9-15-18-13-5-3-2-4-12(13)14/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyZNHDCBNXKOURMG-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.22
Rot. Bonds5

About N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine

N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine (PubChem CID 63585846) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine
PubChem CID63585846
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine
SMILESCOCCn1cc(Nc2cnnc3ccccc23)cn1
InChIInChI=1S/C14H15N5O/c1-20-7-6-19-10-11(8-16-19)17-14-9-15-18-13-5-3-2-4-12(13)14/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyZNHDCBNXKOURMG-UHFFFAOYSA-N
XLogP2.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine (CID 63585846) is N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine is COCCn1cc(Nc2cnnc3ccccc23)cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine?
The InChIKey is ZNHDCBNXKOURMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-20-7-6-19-10-11(8-16-19)17-14-9-15-18-13-5-3-2-4-12(13)14/h2-5,8-10H,6-7H2,1H3,(H,17,18).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine?
N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine has a molecular weight of 269.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]cinnolin-4-amine is sourced from PubChem (CID 63585846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).