3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide

C21H26N4O — CID 52553690

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C21H26N4O/c1-14(2)13-25-16(4)19(15(3)24-25)9-10-21(26)23-18-11-17-7-5-6-8-20(17)22-12-18/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,23,26)
InChIKeyYXQNVDVQULLCNF-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.28
Rot. Bonds6

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide (PubChem CID 52553690) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide
PubChem CID52553690
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C21H26N4O/c1-14(2)13-25-16(4)19(15(3)24-25)9-10-21(26)23-18-11-17-7-5-6-8-20(17)22-12-18/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,23,26)
InChIKeyYXQNVDVQULLCNF-UHFFFAOYSA-N
XLogP4.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide
CID 134050842
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-quinolin-3-ylpropanamide
CID 18146528
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507565
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 9077447
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
2-[5-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]indol-1-yl]acetic acid
CID 119235395
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 112827777
N-[2-(difluoromethoxy)phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37314274
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]propanamide
CID 52663082
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37294430

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide (CID 52553690) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide?
The InChIKey is YXQNVDVQULLCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14(2)13-25-16(4)19(15(3)24-25)9-10-21(26)23-18-11-17-7-5-6-8-20(17)22-12-18/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,23,26).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide has a molecular weight of 350.47 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide is sourced from PubChem (CID 52553690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).