4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide

C13H22N4O2 — CID 106105001

IUPAC4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCc1ccn(C)n1
InChIInChI=1S/C13H22N4O2/c1-3-14-12-9-19-8-11(12)13(18)15-6-4-10-5-7-17(2)16-10/h5,7,11-12,14H,3-4,6,8-9H2,1-2H3,(H,15,18)
InChIKeyNPLRMQRLFZKWOE-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.30
Rot. Bonds6

About 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide

4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide (PubChem CID 106105001) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
PubChem CID106105001
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCc1ccn(C)n1
InChIInChI=1S/C13H22N4O2/c1-3-14-12-9-19-8-11(12)13(18)15-6-4-10-5-7-17(2)16-10/h5,7,11-12,14H,3-4,6,8-9H2,1-2H3,(H,15,18)
InChIKeyNPLRMQRLFZKWOE-UHFFFAOYSA-N
XLogP-0.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide (CID 106105001) is 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NCCc1ccn(C)n1.
What is the InChIKey of 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is NPLRMQRLFZKWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-14-12-9-19-8-11(12)13(18)15-6-4-10-5-7-17(2)16-10/h5,7,11-12,14H,3-4,6,8-9H2,1-2H3,(H,15,18).
What are the key properties of 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 106105001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).