N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine

C16H25N3S — CID 106010807

IUPACN-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
SMILESCCc1ccc(CNCc2ccn(C(CC)CC)n2)s1
InChIInChI=1S/C16H25N3S/c1-4-14(5-2)19-10-9-13(18-19)11-17-12-16-8-7-15(6-3)20-16/h7-10,14,17H,4-6,11-12H2,1-3H3
InChIKeyKULUDAJWRUDBSJ-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.16
Rot. Bonds8

About N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine

N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine (PubChem CID 106010807) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
PubChem CID106010807
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
SMILESCCc1ccc(CNCc2ccn(C(CC)CC)n2)s1
InChIInChI=1S/C16H25N3S/c1-4-14(5-2)19-10-9-13(18-19)11-17-12-16-8-7-15(6-3)20-16/h7-10,14,17H,4-6,11-12H2,1-3H3
InChIKeyKULUDAJWRUDBSJ-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 64800474
1-(1-cyclopentylpyrazol-3-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 103816375
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
1-chloro-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-2-amine
CID 65024614
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 79359126
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 64800508
N-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethyl]methanesulfonamide
CID 64801421
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine
CID 66351054
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine
CID 106024325

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine (CID 106010807) is N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine is CCc1ccc(CNCc2ccn(C(CC)CC)n2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
The InChIKey is KULUDAJWRUDBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-4-14(5-2)19-10-9-13(18-19)11-17-12-16-8-7-15(6-3)20-16/h7-10,14,17H,4-6,11-12H2,1-3H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine?
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine has a molecular weight of 291.46 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine is sourced from PubChem (CID 106010807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).