(4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C14H19N5OS — CID 65359737

IUPAC(4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCn1ncc(N)c1C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H19N5OS/c1-17-13(12(15)8-16-17)14(20)19-5-3-18(4-6-19)9-11-2-7-21-10-11/h2,7-8,10H,3-6,9,15H2,1H3
InChIKeyDJKXLVWFDIJDPC-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.02
Rot. Bonds3

About (4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 65359737) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID65359737
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name(4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCn1ncc(N)c1C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H19N5OS/c1-17-13(12(15)8-16-17)14(20)19-5-3-18(4-6-19)9-11-2-7-21-10-11/h2,7-8,10H,3-6,9,15H2,1H3
InChIKeyDJKXLVWFDIJDPC-UHFFFAOYSA-N
XLogP1.02
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 65355801
(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 65359335
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
(5-hydroxy-3-pyridinyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63859905
(4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 61140524
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66375906
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 6733780
(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone
CID 65359976
2,5,6-trimethyl-4-[4-methyl-5-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]pyridazin-3-one
CID 47029944
2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 60937727
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782896

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 65359737) is (4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is Cn1ncc(N)c1C(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of (4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is DJKXLVWFDIJDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-17-13(12(15)8-16-17)14(20)19-5-3-18(4-6-19)9-11-2-7-21-10-11/h2,7-8,10H,3-6,9,15H2,1H3.
What are the key properties of (4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 305.41 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 65359737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).