(4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine

C10H12ClN3OS — CID 105046501

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1c(Cl)cnn1C
InChIInChI=1S/C10H12ClN3OS/c1-14-9(6(11)5-13-14)8(12)10-7(15-2)3-4-16-10/h3-5,8H,12H2,1-2H3
InChIKeySHKPDLDKYDZNQM-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.19
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine

(4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine (PubChem CID 105046501) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
PubChem CID105046501
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1c(Cl)cnn1C
InChIInChI=1S/C10H12ClN3OS/c1-14-9(6(11)5-13-14)8(12)10-7(15-2)3-4-16-10/h3-5,8H,12H2,1-2H3
InChIKeySHKPDLDKYDZNQM-UHFFFAOYSA-N
XLogP2.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105040106
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105042817
(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047303
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040808
(4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105185942
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105041706
[(4-chloro-1-methylpyrazol-5-yl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 105338782
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
(3-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041950
(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 103443925

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine (CID 105046501) is (4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine is COc1ccsc1C(N)c1c(Cl)cnn1C.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is SHKPDLDKYDZNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-14-9(6(11)5-13-14)8(12)10-7(15-2)3-4-16-10/h3-5,8H,12H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine?
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 257.75 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 105046501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).