3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide

C14H23N3O2 — CID 111378224

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCc1nn(C)cc1CCC(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H23N3O2/c1-11-12(9-17(2)16-11)5-6-13(18)15-10-14(19)7-3-4-8-14/h9,19H,3-8,10H2,1-2H3,(H,15,18)
InChIKeyWITNZCHSDBILNU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.08
Rot. Bonds5

About 3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide

3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide (PubChem CID 111378224) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
PubChem CID111378224
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCc1nn(C)cc1CCC(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H23N3O2/c1-11-12(9-17(2)16-11)5-6-13(18)15-10-14(19)7-3-4-8-14/h9,19H,3-8,10H2,1-2H3,(H,15,18)
InChIKeyWITNZCHSDBILNU-UHFFFAOYSA-N
XLogP1.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide
CID 124943074
3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446162
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
N-[(1-hydroxycyclohexyl)methyl]-3-(5-methylfuran-2-yl)propanamide
CID 111560563
1-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 115991294
N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 111332905
1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65197436
3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111482785
3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide
CID 124972941
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 130634547
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxypentanamide
CID 112672114

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide (CID 111378224) is 3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide is Cc1nn(C)cc1CCC(=O)NCC1(O)CCCC1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is WITNZCHSDBILNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-12(9-17(2)16-11)5-6-13(18)15-10-14(19)7-3-4-8-14/h9,19H,3-8,10H2,1-2H3,(H,15,18).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 111378224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).