(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine

C10H13ClN4S — CID 114658703

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1cscn1
InChIInChI=1S/C10H13ClN4S/c1-2-3-15-10(7(11)4-14-15)9(12)8-5-16-6-13-8/h4-6,9H,2-3,12H2,1H3
InChIKeyDVEUSBGSJANMKN-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.45
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine

(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine (PubChem CID 114658703) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
PubChem CID114658703
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1cscn1
InChIInChI=1S/C10H13ClN4S/c1-2-3-15-10(7(11)4-14-15)9(12)8-5-16-6-13-8/h4-6,9H,2-3,12H2,1H3
InChIKeyDVEUSBGSJANMKN-UHFFFAOYSA-N
XLogP2.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanol
CID 114638381
(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503108
(1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
CID 130527433
[1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105337196
4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
CID 105184141
(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine
CID 105042547
(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848481
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(thiadiazol-4-yl)methanamine
CID 105189953
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine (CID 114658703) is (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine is CCCn1ncc(Cl)c1C(N)c1cscn1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine?
The InChIKey is DVEUSBGSJANMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4S/c1-2-3-15-10(7(11)4-14-15)9(12)8-5-16-6-13-8/h4-6,9H,2-3,12H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine?
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine has a molecular weight of 256.76 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 114658703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).