(1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine

C19H23N5 — CID 97321808

IUPAC(1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine
SMILESCc1cc(C)n(-c2ccc(CCN[C@@H](C)c3cnccn3)cc2)n1
InChIInChI=1S/C19H23N5/c1-14-12-15(2)24(23-14)18-6-4-17(5-7-18)8-9-21-16(3)19-13-20-10-11-22-19/h4-7,10-13,16,21H,8-9H2,1-3H3/t16-/m0/s1
InChIKeyUHAVRUVMICTWHA-INIZCTEOSA-N
MW321.43 g/mol
LogP3.17
Rot. Bonds6

About (1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine

(1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine (PubChem CID 97321808) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is (1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine
PubChem CID97321808
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name(1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine
SMILESCc1cc(C)n(-c2ccc(CCN[C@@H](C)c3cnccn3)cc2)n1
InChIInChI=1S/C19H23N5/c1-14-12-15(2)24(23-14)18-6-4-17(5-7-18)8-9-21-16(3)19-13-20-10-11-22-19/h4-7,10-13,16,21H,8-9H2,1-3H3/t16-/m0/s1
InChIKeyUHAVRUVMICTWHA-INIZCTEOSA-N
XLogP3.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine?
The IUPAC name of (1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine (CID 97321808) is (1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine?
The canonical SMILES for (1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine is Cc1cc(C)n(-c2ccc(CCN[C@@H](C)c3cnccn3)cc2)n1.
What is the InChIKey of (1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine?
The InChIKey is UHAVRUVMICTWHA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-12-15(2)24(23-14)18-6-4-17(5-7-18)8-9-21-16(3)19-13-20-10-11-22-19/h4-7,10-13,16,21H,8-9H2,1-3H3/t16-/m0/s1.
What are the key properties of (1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine?
(1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine has a molecular weight of 321.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 97321808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).