N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C15H20N4OS — CID 50962403

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)N(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-10-14(21-9-16-10)5-6-15(20)19(2)8-12-7-13(18-17-12)11-3-4-11/h7,9,11H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyJSMPKDWWZFKSLS-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.64
Rot. Bonds6

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 50962403) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID50962403
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)N(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C15H20N4OS/c1-10-14(21-9-16-10)5-6-15(20)19(2)8-12-7-13(18-17-12)11-3-4-11/h7,9,11H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyJSMPKDWWZFKSLS-UHFFFAOYSA-N
XLogP2.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 50962403) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)N(C)Cc1cc(C2CC2)n[nH]1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is JSMPKDWWZFKSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-14(21-9-16-10)5-6-15(20)19(2)8-12-7-13(18-17-12)11-3-4-11/h7,9,11H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 304.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 50962403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).