cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine

C18H27N7O2 — CID 164880129

IUPACcyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC1CCCC1.CC(C)NC(=O)O.c1cc(Nc2nccn3nccc23)[nH]n1
InChIInChI=1S/C9H8N6.C5H10.C4H9NO2/c1-4-12-15-6-5-10-9(7(1)15)13-8-2-3-11-14-8;1-2-4-5-3-1;1-3(2)5-4(6)7/h1-6H,(H2,10,11,13,14);1-5H2;3,5H,1-2H3,(H,6,7)
InChIKeyMMOVYINGCXCBDQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.81
Rot. Bonds3

About cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine

cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 164880129) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Namecyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID164880129
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Namecyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC1CCCC1.CC(C)NC(=O)O.c1cc(Nc2nccn3nccc23)[nH]n1
InChIInChI=1S/C9H8N6.C5H10.C4H9NO2/c1-4-12-15-6-5-10-9(7(1)15)13-8-2-3-11-14-8;1-2-4-5-3-1;1-3(2)5-4(6)7/h1-6H,(H2,10,11,13,14);1-5H2;3,5H,1-2H3,(H,6,7)
InChIKeyMMOVYINGCXCBDQ-UHFFFAOYSA-N
XLogP3.81
TPSA120.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine (CID 164880129) is cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine is C1CCCC1.CC(C)NC(=O)O.c1cc(Nc2nccn3nccc23)[nH]n1.
What is the InChIKey of cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is MMOVYINGCXCBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6.C5H10.C4H9NO2/c1-4-12-15-6-5-10-9(7(1)15)13-8-2-3-11-14-8;1-2-4-5-3-1;1-3(2)5-4(6)7/h1-6H,(H2,10,11,13,14);1-5H2;3,5H,1-2H3,(H,6,7).
What are the key properties of cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine?
cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 373.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;propan-2-ylcarbamic acid;N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 164880129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).