5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide

C16H23N5OS — CID 72920176

IUPAC5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCc2csc(N3CCCC3)n2)c1C
InChIInChI=1S/C16H23N5OS/c1-3-6-21-12(2)14(10-18-21)15(22)17-9-13-11-23-16(19-13)20-7-4-5-8-20/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyIKEKVVLKEBDJID-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.59
Rot. Bonds6

About 5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide

5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 72920176) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID72920176
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCc2csc(N3CCCC3)n2)c1C
InChIInChI=1S/C16H23N5OS/c1-3-6-21-12(2)14(10-18-21)15(22)17-9-13-11-23-16(19-13)20-7-4-5-8-20/h10-11H,3-9H2,1-2H3,(H,17,22)
InChIKeyIKEKVVLKEBDJID-UHFFFAOYSA-N
XLogP2.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (CID 72920176) is 5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is CCCn1ncc(C(=O)NCc2csc(N3CCCC3)n2)c1C.
What is the InChIKey of 5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is IKEKVVLKEBDJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-3-6-21-12(2)14(10-18-21)15(22)17-9-13-11-23-16(19-13)20-7-4-5-8-20/h10-11H,3-9H2,1-2H3,(H,17,22).
What are the key properties of 5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 72920176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).