3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine

C34H33N7 — CID 175297930

IUPAC3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine
SMILESNc1ncc(-c2ccc(-n3nc(C4CC4)cc3C3CC3)cc2)nc1-c1ccc(-n2nc(C3CC3)cc2C2CC2)cc1
InChIInChI=1S/C34H33N7/c35-34-33(25-11-15-27(16-12-25)41-32(24-7-8-24)18-29(39-41)21-3-4-21)37-30(19-36-34)22-9-13-26(14-10-22)40-31(23-5-6-23)17-28(38-40)20-1-2-20/h9-21,23-24H,1-8H2,(H2,35,36)
InChIKeyDPYJMMBJKNWCGP-UHFFFAOYSA-N
MW539.69 g/mol
LogP7.27
Rot. Bonds8

About 3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine

3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine (PubChem CID 175297930) has the molecular formula C34H33N7 and a molecular weight of 539.69 g/mol. Its IUPAC name is 3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine
PubChem CID175297930
Molecular FormulaC34H33N7
Molecular Weight539.69 g/mol
Exact Mass539.28
IUPAC Name3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine
SMILESNc1ncc(-c2ccc(-n3nc(C4CC4)cc3C3CC3)cc2)nc1-c1ccc(-n2nc(C3CC3)cc2C2CC2)cc1
InChIInChI=1S/C34H33N7/c35-34-33(25-11-15-27(16-12-25)41-32(24-7-8-24)18-29(39-41)21-3-4-21)37-30(19-36-34)22-9-13-26(14-10-22)40-31(23-5-6-23)17-28(38-40)20-1-2-20/h9-21,23-24H,1-8H2,(H2,35,36)
InChIKeyDPYJMMBJKNWCGP-UHFFFAOYSA-N
XLogP7.27
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.69
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-2-pyridinyl]acetamide
CID 142790248
6-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-4-cyclopropyl-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066719
3-bromo-5-(4-cyclopropylphenyl)pyrazin-2-amine
CID 141342852
3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)pyrazin-2-amine
CID 142945202
methyl 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-2-fluorobenzoate
CID 118046000
1-[4-[3-amino-6-(4-hydroxyphenyl)pyrazin-2-yl]phenyl]ethanone
CID 135965930
N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 51352847
3-cyclopropyl-1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole
CID 71662984
6-[3-amino-6-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazin-2-yl]-2-(3,5-dimethoxyphenyl)pyridazin-3-one
CID 129066816
N-[2-[6-(3,5-dicyclopropylpyrazol-1-yl)-3-pyridinyl]quinolin-6-yl]acetamide
CID 156861316
3,5-dicyclopropyl-1-sulfanylpyrazole
CID 123679833
6-[3-amino-6-[4-(3-propan-2-ylpiperidin-1-yl)phenyl]pyrazin-2-yl]-7-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 166092998

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine?
The IUPAC name of 3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine (CID 175297930) is 3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine?
The canonical SMILES for 3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine is Nc1ncc(-c2ccc(-n3nc(C4CC4)cc3C3CC3)cc2)nc1-c1ccc(-n2nc(C3CC3)cc2C2CC2)cc1.
What is the InChIKey of 3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine?
The InChIKey is DPYJMMBJKNWCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N7/c35-34-33(25-11-15-27(16-12-25)41-32(24-7-8-24)18-29(39-41)21-3-4-21)37-30(19-36-34)22-9-13-26(14-10-22)40-31(23-5-6-23)17-28(38-40)20-1-2-20/h9-21,23-24H,1-8H2,(H2,35,36).
What are the key properties of 3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine?
3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine has a molecular weight of 539.69 g/mol, XLogP of 7.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 175297930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).