N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine

C13H12ClN3OS — CID 43776692

IUPACN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NC(c2ccco2)c2ccc(Cl)s2)cn1
InChIInChI=1S/C13H12ClN3OS/c1-17-8-9(7-15-17)16-13(10-3-2-6-18-10)11-4-5-12(14)19-11/h2-8,13,16H,1H3
InChIKeyMIRVXBWJTLAJQV-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.93
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine

N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine (PubChem CID 43776692) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine
PubChem CID43776692
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC NameN-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NC(c2ccco2)c2ccc(Cl)s2)cn1
InChIInChI=1S/C13H12ClN3OS/c1-17-8-9(7-15-17)16-13(10-3-2-6-18-10)11-4-5-12(14)19-11/h2-8,13,16H,1H3
InChIKeyMIRVXBWJTLAJQV-UHFFFAOYSA-N
XLogP3.93
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine (CID 43776692) is N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine is Cn1cc(NC(c2ccco2)c2ccc(Cl)s2)cn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is MIRVXBWJTLAJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-17-8-9(7-15-17)16-13(10-3-2-6-18-10)11-4-5-12(14)19-11/h2-8,13,16H,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine?
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 293.78 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43776692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).