N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide

C14H19N3OS — CID 134037051

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCCc1cccs1
InChIInChI=1S/C14H19N3OS/c1-16(10-12-9-15-17(2)11-12)14(18)7-3-5-13-6-4-8-19-13/h4,6,8-9,11H,3,5,7,10H2,1-2H3
InChIKeyHSZHAQZVAAAXQP-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.46
Rot. Bonds6

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide (PubChem CID 134037051) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
PubChem CID134037051
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCCc1cccs1
InChIInChI=1S/C14H19N3OS/c1-16(10-12-9-15-17(2)11-12)14(18)7-3-5-13-6-4-8-19-13/h4,6,8-9,11H,3,5,7,10H2,1-2H3
InChIKeyHSZHAQZVAAAXQP-UHFFFAOYSA-N
XLogP2.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 86932688
3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 134037132
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1R)-2-methyl-1-thiophen-2-ylpropyl]urea
CID 95129803
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126426485
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 51286651
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
2-(1-methylpyrazol-4-yl)-2-(4-thiophen-2-ylbutanoylamino)acetic acid
CID 115288173
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide
CID 79652321
N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 35524940
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 31843584

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide (CID 134037051) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide is CN(Cc1cnn(C)c1)C(=O)CCCc1cccs1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is HSZHAQZVAAAXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-16(10-12-9-15-17(2)11-12)14(18)7-3-5-13-6-4-8-19-13/h4,6,8-9,11H,3,5,7,10H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 277.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 134037051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).