N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C13H21N3O2 — CID 119060916

IUPACN-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCCOC(C)C(=O)N(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C13H21N3O2/c1-4-18-10(2)13(17)16(12-5-6-12)9-11-7-14-15(3)8-11/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyJISMTXVJTUXGDX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.34
Rot. Bonds6

About N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide

N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 119060916) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID119060916
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCCOC(C)C(=O)N(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C13H21N3O2/c1-4-18-10(2)13(17)16(12-5-6-12)9-11-7-14-15(3)8-11/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyJISMTXVJTUXGDX-UHFFFAOYSA-N
XLogP1.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 171912351
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
(2S)-N-cyclopropyl-2-(4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylacetamide
CID 124752238
2-ethoxy-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 63073155
1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 72865138
N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 86795405
3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 120503339
1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 122565755
2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91762125
(3S,4R)-1-methyl-3-[[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]methyl]piperidin-4-ol
CID 28732563

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 119060916) is N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide is CCOC(C)C(=O)N(Cc1cnn(C)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is JISMTXVJTUXGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-10(2)13(17)16(12-5-6-12)9-11-7-14-15(3)8-11/h7-8,10,12H,4-6,9H2,1-3H3.
What are the key properties of N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 119060916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).