N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide

C12H16N4OS — CID 54950520

IUPACN-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCNC(=O)C(C)NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C12H16N4OS/c1-8(12(17)13-2)14-6-9-7-15-16-11(9)10-4-3-5-18-10/h3-5,7-8,14H,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyDLWYDXINDVLZBY-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.36
Rot. Bonds5

About N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide

N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 54950520) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID54950520
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCNC(=O)C(C)NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C12H16N4OS/c1-8(12(17)13-2)14-6-9-7-15-16-11(9)10-4-3-5-18-10/h3-5,7-8,14H,6H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyDLWYDXINDVLZBY-UHFFFAOYSA-N
XLogP1.36
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanoic acid
CID 54959684
(2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 95205075
1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43233218
2-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233315
(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81384549
4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]butanamide
CID 60863763
1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43791776
(1R)-1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81368214
3-methylsulfonyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 54905369
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43783908
N-tert-butyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]acetamide;hydrochloride
CID 86776335
(2R)-2-pyrazol-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butanamide
CID 97155443

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide (CID 54950520) is N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide is CNC(=O)C(C)NCc1cn[nH]c1-c1cccs1.
What is the InChIKey of N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is DLWYDXINDVLZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(12(17)13-2)14-6-9-7-15-16-11(9)10-4-3-5-18-10/h3-5,7-8,14H,6H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide?
N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 264.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 54950520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).