cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen

C20H36N6O2 — CID 168894940

IUPACcyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen
SMILESC1CCCC1.CC1(NC(=O)O)CC1.[H][H].[H][H].[H][H].c1cc(Nc2cncc(C3CC3)n2)[nH]n1
InChIInChI=1S/C10H11N5.C5H9NO2.C5H10.3H2/c1-2-7(1)8-5-11-6-10(13-8)14-9-3-4-12-15-9;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1;;;/h3-7H,1-2H2,(H2,12,13,14,15);6H,2-3H2,1H3,(H,7,8);1-5H2;3*1H
InChIKeyJMGOLMDVXVMUMV-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.32
Rot. Bonds4

About cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen

cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen (PubChem CID 168894940) has the molecular formula C20H36N6O2 and a molecular weight of 392.55 g/mol. Its IUPAC name is cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen.

Molecular Properties

Compound Namecyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen
PubChem CID168894940
Molecular FormulaC20H36N6O2
Molecular Weight392.55 g/mol
Exact Mass392.29
IUPAC Namecyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen
SMILESC1CCCC1.CC1(NC(=O)O)CC1.[H][H].[H][H].[H][H].c1cc(Nc2cncc(C3CC3)n2)[nH]n1
InChIInChI=1S/C10H11N5.C5H9NO2.C5H10.3H2/c1-2-7(1)8-5-11-6-10(13-8)14-9-3-4-12-15-9;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1;;;/h3-7H,1-2H2,(H2,12,13,14,15);6H,2-3H2,1H3,(H,7,8);1-5H2;3*1H
InChIKeyJMGOLMDVXVMUMV-UHFFFAOYSA-N
XLogP5.32
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen?
The IUPAC name of cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen (CID 168894940) is cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen.
What is the SMILES notation for cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen?
The canonical SMILES for cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen is C1CCCC1.CC1(NC(=O)O)CC1.[H][H].[H][H].[H][H].c1cc(Nc2cncc(C3CC3)n2)[nH]n1.
What is the InChIKey of cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen?
The InChIKey is JMGOLMDVXVMUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5.C5H9NO2.C5H10.3H2/c1-2-7(1)8-5-11-6-10(13-8)14-9-3-4-12-15-9;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1;;;/h3-7H,1-2H2,(H2,12,13,14,15);6H,2-3H2,1H3,(H,7,8);1-5H2;3*1H.
What are the key properties of cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen?
cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen has a molecular weight of 392.55 g/mol, XLogP of 5.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;6-cyclopropyl-N-(1H-pyrazol-5-yl)pyrazin-2-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen is sourced from PubChem (CID 168894940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).