1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine

C10H14N4S — CID 115749372

IUPAC1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
SMILESCCCn1cc(NCc2cscn2)cn1
InChIInChI=1S/C10H14N4S/c1-2-3-14-6-9(5-13-14)11-4-10-7-15-8-12-10/h5-8,11H,2-4H2,1H3
InChIKeyMOUIKXCUTLCXBM-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.36
Rot. Bonds5

About 1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine

1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine (PubChem CID 115749372) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
PubChem CID115749372
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
SMILESCCCn1cc(NCc2cscn2)cn1
InChIInChI=1S/C10H14N4S/c1-2-3-14-6-9(5-13-14)11-4-10-7-15-8-12-10/h5-8,11H,2-4H2,1H3
InChIKeyMOUIKXCUTLCXBM-UHFFFAOYSA-N
XLogP2.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 61170822
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
CID 115606212
N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167629
1-propyl-N-(thiophen-2-ylmethyl)pyrazol-4-amine;hydrochloride
CID 126967736
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 171156667
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine
CID 113341585
4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171807
1-ethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167620
1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 66129392

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine (CID 115749372) is 1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine is CCCn1cc(NCc2cscn2)cn1.
What is the InChIKey of 1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
The InChIKey is MOUIKXCUTLCXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-2-3-14-6-9(5-13-14)11-4-10-7-15-8-12-10/h5-8,11H,2-4H2,1H3.
What are the key properties of 1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine has a molecular weight of 222.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 115749372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).