N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide

C14H21N3O2 — CID 164633493

IUPACN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESCn1cc(CN(C(=O)C[C@H]2CCCO2)C2CC2)cn1
InChIInChI=1S/C14H21N3O2/c1-16-9-11(8-15-16)10-17(12-4-5-12)14(18)7-13-3-2-6-19-13/h8-9,12-13H,2-7,10H2,1H3/t13-/m1/s1
InChIKeyVIGJOYPNQRBJBG-CYBMUJFWSA-N
MW263.34 g/mol
LogP1.48
Rot. Bonds5

About N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide

N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide (PubChem CID 164633493) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide
PubChem CID164633493
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESCn1cc(CN(C(=O)C[C@H]2CCCO2)C2CC2)cn1
InChIInChI=1S/C14H21N3O2/c1-16-9-11(8-15-16)10-17(12-4-5-12)14(18)7-13-3-2-6-19-13/h8-9,12-13H,2-7,10H2,1H3/t13-/m1/s1
InChIKeyVIGJOYPNQRBJBG-CYBMUJFWSA-N
XLogP1.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47043527
2-(Oxolan-2-yl)-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53572013
N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-1-(methoxymethyl)-N-methylcyclobutanecarboxamide
CID 74231830
1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 53562018
2-(Oxolan-2-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 53562298
1-[4-[(1-Methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(oxolan-2-yl)ethanone
CID 53568007
[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 53568407
1-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(oxolan-2-yl)ethanone
CID 53582454
3-(Oxolan-2-yl)-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 53588452
1-[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 53594690
2-(Oxolan-2-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 53608943
2-(Oxolan-2-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 53610184

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide (CID 164633493) is N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide is Cn1cc(CN(C(=O)C[C@H]2CCCO2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide?
The InChIKey is VIGJOYPNQRBJBG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-9-11(8-15-16)10-17(12-4-5-12)14(18)7-13-3-2-6-19-13/h8-9,12-13H,2-7,10H2,1H3/t13-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide?
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide is sourced from PubChem (CID 164633493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).