3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide

C16H27N3O2 — CID 84594503

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)N(C)CC1CCCCO1
InChIInChI=1S/C16H27N3O2/c1-11(16-12(2)17-18-13(16)3)9-15(20)19(4)10-14-7-5-6-8-21-14/h11,14H,5-10H2,1-4H3,(H,17,18)
InChIKeyCPYCGUABVAMLSN-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.55
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide (PubChem CID 84594503) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide
PubChem CID84594503
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)N(C)CC1CCCCO1
InChIInChI=1S/C16H27N3O2/c1-11(16-12(2)17-18-13(16)3)9-15(20)19(4)10-14-7-5-6-8-21-14/h11,14H,5-10H2,1-4H3,(H,17,18)
InChIKeyCPYCGUABVAMLSN-UHFFFAOYSA-N
XLogP2.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 118740051
(3R*,4R*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-4-ol
CID 70754785
{(3R*,4R*)-4-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]methyl}-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-3-yl}methanol
CID 70776655
(3R*,4R*)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72843767
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]butan-1-one
CID 75470233
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 84594669
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-prop-2-enoxypyrrolidin-1-yl)butan-1-one
CID 84600328
5-cyclopropyl-N-{3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl}-3-methyl-1H-pyrazole-4-carboxamide
CID 118769485
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 121523542
tert-butyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3-methylpiperidine-2-carboxylate
CID 126815732
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 164640998
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 109903206

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide (CID 84594503) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide is Cc1n[nH]c(C)c1C(C)CC(=O)N(C)CC1CCCCO1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide?
The InChIKey is CPYCGUABVAMLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(16-12(2)17-18-13(16)3)9-15(20)19(4)10-14-7-5-6-8-21-14/h11,14H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide has a molecular weight of 293.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)butanamide is sourced from PubChem (CID 84594503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).