3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide

C14H24N4O2 — CID 62851309

IUPAC3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESCCNCC(C)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C14H24N4O2/c1-3-15-7-11(2)14(19)17-12-8-16-18(9-12)10-13-5-4-6-20-13/h8-9,11,13,15H,3-7,10H2,1-2H3,(H,17,19)
InChIKeySHJNNRPOORDARG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.25
Rot. Bonds7

About 3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide

3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide (PubChem CID 62851309) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
PubChem CID62851309
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESCCNCC(C)C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C14H24N4O2/c1-3-15-7-11(2)14(19)17-12-8-16-18(9-12)10-13-5-4-6-20-13/h8-9,11,13,15H,3-7,10H2,1-2H3,(H,17,19)
InChIKeySHJNNRPOORDARG-UHFFFAOYSA-N
XLogP1.25
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
N-butan-2-yl-2-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamoylamino]propanamide
CID 86863097
2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide
CID 60849618
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
(2S)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-2-phenylbutanamide
CID 129354476
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide (CID 62851309) is 3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide is CCNCC(C)C(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
The InChIKey is SHJNNRPOORDARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-15-7-11(2)14(19)17-12-8-16-18(9-12)10-13-5-4-6-20-13/h8-9,11,13,15H,3-7,10H2,1-2H3,(H,17,19).
What are the key properties of 3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide?
3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 62851309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).