N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine

C18H25N5O — CID 45378896

IUPACN-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCOc1ccc(-c2[nH]ncc2C2NCCN=C2NC(C)(C)C)cc1
InChIInChI=1S/C18H25N5O/c1-18(2,3)22-17-16(19-9-10-20-17)14-11-21-23-15(14)12-5-7-13(24-4)8-6-12/h5-8,11,16,19H,9-10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyGQHBQHYQLTYTBA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.52
Rot. Bonds3

About N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine

N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine (PubChem CID 45378896) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine.

Molecular Properties

Compound NameN-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine
PubChem CID45378896
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine
SMILESCOc1ccc(-c2[nH]ncc2C2NCCN=C2NC(C)(C)C)cc1
InChIInChI=1S/C18H25N5O/c1-18(2,3)22-17-16(19-9-10-20-17)14-11-21-23-15(14)12-5-7-13(24-4)8-6-12/h5-8,11,16,19H,9-10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyGQHBQHYQLTYTBA-UHFFFAOYSA-N
XLogP2.52
TPSA74.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine?
The IUPAC name of N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine (CID 45378896) is N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine.
What is the SMILES notation for N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine?
The canonical SMILES for N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine is COc1ccc(-c2[nH]ncc2C2NCCN=C2NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine?
The InChIKey is GQHBQHYQLTYTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-18(2,3)22-17-16(19-9-10-20-17)14-11-21-23-15(14)12-5-7-13(24-4)8-6-12/h5-8,11,16,19H,9-10H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine?
N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine has a molecular weight of 327.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyrazin-5-amine is sourced from PubChem (CID 45378896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).