(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine

C11H13Cl2N3S — CID 107968266

IUPAC(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2N3S/c1-2-5-16-8(3-4-15-16)10(14)7-6-9(12)17-11(7)13/h3-4,6,10H,2,5,14H2,1H3
InChIKeySNVALBRWSDEDCF-UHFFFAOYSA-N
MW290.22 g/mol
LogP3.71
Rot. Bonds4

About (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine

(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine (PubChem CID 107968266) has the molecular formula C11H13Cl2N3S and a molecular weight of 290.22 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
PubChem CID107968266
Molecular FormulaC11H13Cl2N3S
Molecular Weight290.22 g/mol
Exact Mass289.02
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(N)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2N3S/c1-2-5-16-8(3-4-15-16)10(14)7-6-9(12)17-11(7)13/h3-4,6,10H,2,5,14H2,1H3
InChIKeySNVALBRWSDEDCF-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107968268
(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 106692049
(2-chloro-4-fluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977040
(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969104
(3-chloro-4-iodophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 103215295
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
CID 63976392
(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 114104356
(2-propylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 115857397
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanamine
CID 63976573
(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857696

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine (CID 107968266) is (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(N)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is SNVALBRWSDEDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3S/c1-2-5-16-8(3-4-15-16)10(14)7-6-9(12)17-11(7)13/h3-4,6,10H,2,5,14H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine?
(2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 290.22 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107968266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).