N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine

C13H17N3S — CID 103724288

IUPACN-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
SMILESCC1(CNCc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C13H17N3S/c1-13(4-5-13)9-14-7-10-8-15-16-12(10)11-3-2-6-17-11/h2-3,6,8,14H,4-5,7,9H2,1H3,(H,15,16)
InChIKeyWKMUHYFXSUFARQ-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.03
Rot. Bonds5

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

N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine (PubChem CID 103724288) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
PubChem CID103724288
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
SMILESCC1(CNCc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C13H17N3S/c1-13(4-5-13)9-14-7-10-8-15-16-12(10)11-3-2-6-17-11/h2-3,6,8,14H,4-5,7,9H2,1H3,(H,15,16)
InChIKeyWKMUHYFXSUFARQ-UHFFFAOYSA-N
XLogP3.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 103743549
3-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115733069
3-methylsulfonyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 54905369
N-[3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 49462341
3,3-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 47185945
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43233175
1-(2-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233210
1-(4-methyl-3-pyridinyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 114954740
2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanoic acid
CID 54959684
(E)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115628993
4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
CID 83010094
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233196

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine (CID 103724288) is N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine is CC1(CNCc2cn[nH]c2-c2cccs2)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The InChIKey is WKMUHYFXSUFARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-13(4-5-13)9-14-7-10-8-15-16-12(10)11-3-2-6-17-11/h2-3,6,8,14H,4-5,7,9H2,1H3,(H,15,16).
What are the key properties of N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine has a molecular weight of 247.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 103724288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).