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

C15H21N3OS — CID 103743549

IUPACN-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
SMILESCC1(CNCc2cn[nH]c2-c2cccs2)CCOCC1
InChIInChI=1S/C15H21N3OS/c1-15(4-6-19-7-5-15)11-16-9-12-10-17-18-14(12)13-3-2-8-20-13/h2-3,8,10,16H,4-7,9,11H2,1H3,(H,17,18)
InChIKeyWTAAXRRGAZXZNL-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.04
Rot. Bonds5

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

N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine (PubChem CID 103743549) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
PubChem CID103743549
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
SMILESCC1(CNCc2cn[nH]c2-c2cccs2)CCOCC1
InChIInChI=1S/C15H21N3OS/c1-15(4-6-19-7-5-15)11-16-9-12-10-17-18-14(12)13-3-2-8-20-13/h2-3,8,10,16H,4-7,9,11H2,1H3,(H,17,18)
InChIKeyWTAAXRRGAZXZNL-UHFFFAOYSA-N
XLogP3.04
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 103724288
(2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 38066242
3-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115733069
(E)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pent-3-en-1-amine
CID 115628993
1-(1,4-dioxan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine;hydrochloride
CID 51086182
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
2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanoic acid
CID 54959684
3-methylsulfonyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 54905369
1-(4-methyl-3-pyridinyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 114954740
N-[3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 49462341

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine (CID 103743549) is N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine is CC1(CNCc2cn[nH]c2-c2cccs2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
The InChIKey is WTAAXRRGAZXZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(4-6-19-7-5-15)11-16-9-12-10-17-18-14(12)13-3-2-8-20-13/h2-3,8,10,16H,4-7,9,11H2,1H3,(H,17,18).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine?
N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine has a molecular weight of 291.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 103743549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).