3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine

C17H19N3S — CID 103909020

IUPAC3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C17H19N3S/c1-3-15-16(12-20(2)19-15)18-11-14-9-10-17(21-14)13-7-5-4-6-8-13/h4-10,12,18H,3,11H2,1-2H3
InChIKeyCIWDIYALNRKKRV-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.32
Rot. Bonds5

About 3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine

3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine (PubChem CID 103909020) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine
PubChem CID103909020
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C17H19N3S/c1-3-15-16(12-20(2)19-15)18-11-14-9-10-17(21-14)13-7-5-4-6-8-13/h4-10,12,18H,3,11H2,1-2H3
InChIKeyCIWDIYALNRKKRV-UHFFFAOYSA-N
XLogP4.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
2-iodo-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43773459
3-ethyl-1-methyl-N-(3-phenylpropyl)pyrazol-4-amine
CID 107462469
3-ethyl-1-methyl-N-[(1-methylindol-3-yl)methyl]pyrazol-4-amine
CID 107462367
3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 103909192
3-ethyl-1-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazol-4-amine
CID 115897990
3-ethyl-1-methyl-N-[(E)-3-phenylprop-2-enyl]pyrazol-4-amine
CID 103908973
2-fluoro-4-methyl-N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43772282
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-ethyl-1-methylpyrazol-4-amine
CID 103908992
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine
CID 107464336

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine (CID 103909020) is 3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine is CCc1nn(C)cc1NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of 3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine?
The InChIKey is CIWDIYALNRKKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-3-15-16(12-20(2)19-15)18-11-14-9-10-17(21-14)13-7-5-4-6-8-13/h4-10,12,18H,3,11H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine?
3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine has a molecular weight of 297.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[(5-phenylthiophen-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 103909020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).