[4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate

C15H20N6O2 — CID 175075606

IUPAC[4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate
SMILESCn1cc(-c2cnc(NC3CCC(OC(N)=O)CC3)cn2)cn1
InChIInChI=1S/C15H20N6O2/c1-21-9-10(6-19-21)13-7-18-14(8-17-13)20-11-2-4-12(5-3-11)23-15(16)22/h6-9,11-12H,2-5H2,1H3,(H2,16,22)(H,18,20)
InChIKeyNTWHYLAEZJZCGI-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.70
Rot. Bonds4

About [4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate

[4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate (PubChem CID 175075606) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is [4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate
PubChem CID175075606
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name[4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate
SMILESCn1cc(-c2cnc(NC3CCC(OC(N)=O)CC3)cn2)cn1
InChIInChI=1S/C15H20N6O2/c1-21-9-10(6-19-21)13-7-18-14(8-17-13)20-11-2-4-12(5-3-11)23-15(16)22/h6-9,11-12H,2-5H2,1H3,(H2,16,22)(H,18,20)
InChIKeyNTWHYLAEZJZCGI-UHFFFAOYSA-N
XLogP1.70
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate?
The IUPAC name of [4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate (CID 175075606) is [4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate.
What is the SMILES notation for [4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate?
The canonical SMILES for [4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate is Cn1cc(-c2cnc(NC3CCC(OC(N)=O)CC3)cn2)cn1.
What is the InChIKey of [4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate?
The InChIKey is NTWHYLAEZJZCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-21-9-10(6-19-21)13-7-18-14(8-17-13)20-11-2-4-12(5-3-11)23-15(16)22/h6-9,11-12H,2-5H2,1H3,(H2,16,22)(H,18,20).
What are the key properties of [4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate?
[4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate has a molecular weight of 316.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]amino]cyclohexyl] carbamate is sourced from PubChem (CID 175075606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).