N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine

C15H15N5 — CID 115914335

IUPACN-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine
SMILESCCNc1nccnc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H15N5/c1-2-16-15-14(17-8-9-18-15)12-10-19-20(11-12)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,16,18)
InChIKeyFMFBPKDEMOUHDF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.76
Rot. Bonds4

About N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine

N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine (PubChem CID 115914335) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine
PubChem CID115914335
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine
SMILESCCNc1nccnc1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H15N5/c1-2-16-15-14(17-8-9-18-15)12-10-19-20(11-12)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,16,18)
InChIKeyFMFBPKDEMOUHDF-UHFFFAOYSA-N
XLogP2.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 80840306
1-phenyl-4-propylpyrazole
CID 12902534
N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65183099
N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62770117
N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 116812361
1-phenyl-N-(pyridin-2-ylmethyl)pyrazol-4-amine
CID 82539438
4-ethyl-3-(1-phenylpyrazol-4-yl)-1,2,4-triazole
CID 113301248
2-methyl-5-(1-phenylpyrazol-4-yl)-3-propan-2-ylimidazol-4-amine
CID 62224132
1,3-diethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 75406975
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
3-(1-phenylpyrazol-4-yl)-1,2-benzoxazole
CID 10355283
4-[2,6-di(propan-2-yl)phenyl]-1-phenylpyrazole
CID 134308768

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine?
The IUPAC name of N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine (CID 115914335) is N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine is CCNc1nccnc1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine?
The InChIKey is FMFBPKDEMOUHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-16-15-14(17-8-9-18-15)12-10-19-20(11-12)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,16,18).
What are the key properties of N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine?
N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-phenylpyrazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 115914335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).