2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C14H19N5 — CID 114557339

IUPAC2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCn1nccc1-c1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C14H19N5/c1-2-19-12(8-9-16-19)14-17-11-7-5-3-4-6-10(11)13(15)18-14/h8-9H,2-7H2,1H3,(H2,15,17,18)
InChIKeyFGRYJQBKLMFAOA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 114557339) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID114557339
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCn1nccc1-c1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C14H19N5/c1-2-19-12(8-9-16-19)14-17-11-7-5-3-4-6-10(11)13(15)18-14/h8-9H,2-7H2,1H3,(H2,15,17,18)
InChIKeyFGRYJQBKLMFAOA-UHFFFAOYSA-N
XLogP2.21
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 114557339) is 2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CCn1nccc1-c1nc(N)c2c(n1)CCCCC2.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is FGRYJQBKLMFAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-19-12(8-9-16-19)14-17-11-7-5-3-4-6-10(11)13(15)18-14/h8-9H,2-7H2,1H3,(H2,15,17,18).
What are the key properties of 2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 114557339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).