4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine

C8H12ClN3S — CID 107132534

IUPAC4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine
SMILESNc1c(Cl)cnn1CC1CCSC1
InChIInChI=1S/C8H12ClN3S/c9-7-3-11-12(8(7)10)4-6-1-2-13-5-6/h3,6H,1-2,4-5,10H2
InChIKeyJWRARUSEABBWHE-UHFFFAOYSA-N
MW217.72 g/mol
LogP1.87
Rot. Bonds2

About 4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine

4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine (PubChem CID 107132534) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine
PubChem CID107132534
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine
SMILESNc1c(Cl)cnn1CC1CCSC1
InChIInChI=1S/C8H12ClN3S/c9-7-3-11-12(8(7)10)4-6-1-2-13-5-6/h3,6H,1-2,4-5,10H2
InChIKeyJWRARUSEABBWHE-UHFFFAOYSA-N
XLogP1.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-1-(thiolan-3-ylmethyl)tetrazole
CID 107297319
4-hydroxy-1-(thian-3-ylmethyl)pyrazole-5-carboxylic acid
CID 117232401
5-(1-chloroethyl)-1-(thiolan-3-ylmethyl)tetrazole
CID 107297320
5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid
CID 84657830
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one
CID 114435680
6-chloro-1-[(4-methylidenecyclohexyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146187702
N-[(4-chloro-1-ethylpyrazol-5-yl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105183177
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127294
2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine
CID 107298291
N-[(3-chloro-4-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295804
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine (CID 107132534) is 4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine is Nc1c(Cl)cnn1CC1CCSC1.
What is the InChIKey of 4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine?
The InChIKey is JWRARUSEABBWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c9-7-3-11-12(8(7)10)4-6-1-2-13-5-6/h3,6H,1-2,4-5,10H2.
What are the key properties of 4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine?
4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine has a molecular weight of 217.72 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 107132534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).