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

C13H22N4O2 — CID 106212889

IUPAC4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C13H22N4O2/c1-3-4-14-12-8-19-7-11(12)13(18)17-9(2)10-5-15-16-6-10/h5-6,9,11-12,14H,3-4,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCDOBJXWNVYASQR-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.60
Rot. Bonds6

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

4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide (PubChem CID 106212889) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
PubChem CID106212889
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C13H22N4O2/c1-3-4-14-12-8-19-7-11(12)13(18)17-9(2)10-5-15-16-6-10/h5-6,9,11-12,14H,3-4,7-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCDOBJXWNVYASQR-UHFFFAOYSA-N
XLogP0.60
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 106212783
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 106388450
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81363941
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 66255598
(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66254627
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide (CID 106212889) is 4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide is CCCNC1COCC1C(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is CDOBJXWNVYASQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-4-14-12-8-19-7-11(12)13(18)17-9(2)10-5-15-16-6-10/h5-6,9,11-12,14H,3-4,7-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide?
4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 106212889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).