N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C14H23N3O2 — CID 47136397

IUPACN-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCC1CCCO1
InChIInChI=1S/C14H23N3O2/c1-10-13(11(2)17(3)16-10)6-7-14(18)15-9-12-5-4-8-19-12/h12H,4-9H2,1-3H3,(H,15,18)
InChIKeyUXNNKEDKNRPGDV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.26
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 47136397) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID47136397
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCC1CCCO1
InChIInChI=1S/C14H23N3O2/c1-10-13(11(2)17(3)16-10)6-7-14(18)15-9-12-5-4-8-19-12/h12H,4-9H2,1-3H3,(H,15,18)
InChIKeyUXNNKEDKNRPGDV-UHFFFAOYSA-N
XLogP1.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(1,3,5-Trimethylpyrazol-4-yl)propanoylamino]methyl]oxane-4-carboxamide
CID 56808467
4-{3-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl}-1,3,5-trimethyl-1H-pyrazole
CID 70712324
1-[4-(2-methoxyethyl)piperidino]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 53150916
(1S*,3R*)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 56897650
N-cyclopentyl-2-{4-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3-morpholinyl}acetamide
CID 56898587
1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91922001
8-[3-(1,3,5-Trimethylpyrazol-4-yl)propanoyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201632
N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70780718
2-(3-ethyl-1-methylpyrazol-5-yl)-N-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]acetamide
CID 164636859
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 48650609
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-methyloxolan-3-yl)propanamide
CID 75517525
(2S)-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(2R,3R)-2-methyloxolan-3-yl]propanamide
CID 97802404

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 47136397) is N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is UXNNKEDKNRPGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-13(11(2)17(3)16-10)6-7-14(18)15-9-12-5-4-8-19-12/h12H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 47136397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).