4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide

C12H20N4O2 — CID 106212783

IUPAC4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C12H20N4O2/c1-3-13-11-7-18-6-10(11)12(17)16-8(2)9-4-14-15-5-9/h4-5,8,10-11,13H,3,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFJSKKUZOTKJXHX-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.21
Rot. Bonds5

About 4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide

4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide (PubChem CID 106212783) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
PubChem CID106212783
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C12H20N4O2/c1-3-13-11-7-18-6-10(11)12(17)16-8(2)9-4-14-15-5-9/h4-5,8,10-11,13H,3,6-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFJSKKUZOTKJXHX-UHFFFAOYSA-N
XLogP0.21
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 106212889
N-[1-(3-chlorophenyl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66260046
4-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399688
4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399674
4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81379978
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66258317
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288710
4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
CID 66265793

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide (CID 106212783) is 4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is FJSKKUZOTKJXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-13-11-7-18-6-10(11)12(17)16-8(2)9-4-14-15-5-9/h4-5,8,10-11,13H,3,6-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 106212783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).