2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide

C14H23N3O3 — CID 111458347

IUPAC2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCC(OCC1CC1)C(=O)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C14H23N3O3/c1-10(20-8-11-4-5-11)13(18)15-9-14(2,19)12-6-16-17(3)7-12/h6-7,10-11,19H,4-5,8-9H2,1-3H3,(H,15,18)
InChIKeyQIRMJIXCRQTIDR-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.56
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide

2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide (PubChem CID 111458347) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
PubChem CID111458347
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCC(OCC1CC1)C(=O)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C14H23N3O3/c1-10(20-8-11-4-5-11)13(18)15-9-14(2,19)12-6-16-17(3)7-12/h6-7,10-11,19H,4-5,8-9H2,1-3H3,(H,15,18)
InChIKeyQIRMJIXCRQTIDR-UHFFFAOYSA-N
XLogP0.56
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide
CID 111458426
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
2-butylsulfanyl-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458559
2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458289
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458111
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 111459095
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(3-methoxycyclohexyl)acetamide
CID 154862518

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide (CID 111458347) is 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide is CC(OCC1CC1)C(=O)NCC(C)(O)c1cnn(C)c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
The InChIKey is QIRMJIXCRQTIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(20-8-11-4-5-11)13(18)15-9-14(2,19)12-6-16-17(3)7-12/h6-7,10-11,19H,4-5,8-9H2,1-3H3,(H,15,18).
What are the key properties of 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide?
2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide has a molecular weight of 281.36 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 111458347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).