5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide

C14H17N5O2 — CID 154763220

IUPAC5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCO2)c1cn[nH]c1C1CC1
InChIInChI=1S/C14H17N5O2/c20-14(11-8-16-17-13(11)9-2-3-9)15-7-10-6-12-19(18-10)4-1-5-21-12/h6,8-9H,1-5,7H2,(H,15,20)(H,16,17)
InChIKeyKFBCHNMDZOPLMV-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.20
Rot. Bonds4

About 5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide

5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 154763220) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID154763220
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCO2)c1cn[nH]c1C1CC1
InChIInChI=1S/C14H17N5O2/c20-14(11-8-16-17-13(11)9-2-3-9)15-7-10-6-12-19(18-10)4-1-5-21-12/h6,8-9H,1-5,7H2,(H,15,20)(H,16,17)
InChIKeyKFBCHNMDZOPLMV-UHFFFAOYSA-N
XLogP1.20
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide (CID 154763220) is 5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide is O=C(NCc1cc2n(n1)CCCO2)c1cn[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KFBCHNMDZOPLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-14(11-8-16-17-13(11)9-2-3-9)15-7-10-6-12-19(18-10)4-1-5-21-12/h6,8-9H,1-5,7H2,(H,15,20)(H,16,17).
What are the key properties of 5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154763220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).