N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide

C19H28N4O2S — CID 56545128

IUPACN-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C19H28N4O2S/c1-4-11-23(12-5-2)19(25)8-6-7-18(24)20-17-13-15(21-22-17)16-10-9-14(3)26-16/h9-10,13H,4-8,11-12H2,1-3H3,(H2,20,21,22,24)
InChIKeyVUARWONFSDVCNE-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.20
Rot. Bonds10

About N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide

N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide (PubChem CID 56545128) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide
PubChem CID56545128
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C19H28N4O2S/c1-4-11-23(12-5-2)19(25)8-6-7-18(24)20-17-13-15(21-22-17)16-10-9-14(3)26-16/h9-10,13H,4-8,11-12H2,1-3H3,(H2,20,21,22,24)
InChIKeyVUARWONFSDVCNE-UHFFFAOYSA-N
XLogP4.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide (CID 56545128) is N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)Nc1cc(-c2ccc(C)s2)[nH]n1.
What is the InChIKey of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide?
The InChIKey is VUARWONFSDVCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-4-11-23(12-5-2)19(25)8-6-7-18(24)20-17-13-15(21-22-17)16-10-9-14(3)26-16/h9-10,13H,4-8,11-12H2,1-3H3,(H2,20,21,22,24).
What are the key properties of N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide?
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide has a molecular weight of 376.53 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56545128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).