2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine

C14H14N4S — CID 79041980

IUPAC2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ncccc1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C14H14N4S/c1-10-12(4-2-6-15-10)16-8-11-9-17-18-14(11)13-5-3-7-19-13/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyVBAGKVGPHOAPND-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.45
Rot. Bonds4

About 2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine

2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine (PubChem CID 79041980) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
PubChem CID79041980
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ncccc1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C14H14N4S/c1-10-12(4-2-6-15-10)16-8-11-9-17-18-14(11)13-5-3-7-19-13/h2-7,9,16H,8H2,1H3,(H,17,18)
InChIKeyVBAGKVGPHOAPND-UHFFFAOYSA-N
XLogP3.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43757837
2-(methoxymethyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43779830
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine
CID 60931249
4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43764924
4-bromo-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43758839
1,3,5-trimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-4-amine
CID 43768889
4-chloro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 83166919
2-nitro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43785499
1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine
CID 54921126
4-chloro-2-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43785115
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine
CID 66349893
1-(4-methyl-3-pyridinyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 114954740

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine (CID 79041980) is 2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine is Cc1ncccc1NCc1cn[nH]c1-c1cccs1.
What is the InChIKey of 2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is VBAGKVGPHOAPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-12(4-2-6-15-10)16-8-11-9-17-18-14(11)13-5-3-7-19-13/h2-7,9,16H,8H2,1H3,(H,17,18).
What are the key properties of 2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine?
2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 270.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 79041980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).