N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide

C15H20N4OS — CID 71976978

IUPACN-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide
SMILESCc1nc(CCCC(=O)Nc2n[nH]c(C3CC3)c2C)cs1
InChIInChI=1S/C15H20N4OS/c1-9-14(11-6-7-11)18-19-15(9)17-13(20)5-3-4-12-8-21-10(2)16-12/h8,11H,3-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyCHALPPQSUZCBKG-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.32
Rot. Bonds6

About N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide

N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide (PubChem CID 71976978) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide
PubChem CID71976978
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide
SMILESCc1nc(CCCC(=O)Nc2n[nH]c(C3CC3)c2C)cs1
InChIInChI=1S/C15H20N4OS/c1-9-14(11-6-7-11)18-19-15(9)17-13(20)5-3-4-12-8-21-10(2)16-12/h8,11H,3-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyCHALPPQSUZCBKG-UHFFFAOYSA-N
XLogP3.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
The IUPAC name of N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide (CID 71976978) is N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide.
What is the SMILES notation for N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
The canonical SMILES for N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide is Cc1nc(CCCC(=O)Nc2n[nH]c(C3CC3)c2C)cs1.
What is the InChIKey of N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
The InChIKey is CHALPPQSUZCBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-14(11-6-7-11)18-19-15(9)17-13(20)5-3-4-12-8-21-10(2)16-12/h8,11H,3-7H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide?
N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide has a molecular weight of 304.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide is sourced from PubChem (CID 71976978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).