N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine

C11H14ClN3OS — CID 79420154

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2cc(Cl)cs2)cn1
InChIInChI=1S/C11H14ClN3OS/c1-16-3-2-15-7-10(5-14-15)13-6-11-4-9(12)8-17-11/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyPFBKDINZEAGSAR-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.86
Rot. Bonds6

About N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 79420154) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID79420154
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NCc2cc(Cl)cs2)cn1
InChIInChI=1S/C11H14ClN3OS/c1-16-3-2-15-7-10(5-14-15)13-6-11-4-9(12)8-17-11/h4-5,7-8,13H,2-3,6H2,1H3
InChIKeyPFBKDINZEAGSAR-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 43728977
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 61170822
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 65021511
1-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 43728903
N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787752
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]pyrazol-4-amine
CID 43728942
1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine
CID 81312279
1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine
CID 43728941
1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
CID 107235162
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 75384478
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729032

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 79420154) is N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NCc2cc(Cl)cs2)cn1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is PFBKDINZEAGSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-16-3-2-15-7-10(5-14-15)13-6-11-4-9(12)8-17-11/h4-5,7-8,13H,2-3,6H2,1H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 271.77 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 79420154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).