3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide

C19H25N5O — CID 134050842

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H25N5O/c1-12(2)11-24-14(4)17(13(3)23-24)6-8-19(25)21-16-5-7-18-15(9-16)10-20-22-18/h5,7,9-10,12H,6,8,11H2,1-4H3,(H,20,22)(H,21,25)
InChIKeyAKWSAFPMRAOTMV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.60
Rot. Bonds6

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide (PubChem CID 134050842) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide
PubChem CID134050842
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H25N5O/c1-12(2)11-24-14(4)17(13(3)23-24)6-8-19(25)21-16-5-7-18-15(9-16)10-20-22-18/h5,7,9-10,12H,6,8,11H2,1-4H3,(H,20,22)(H,21,25)
InChIKeyAKWSAFPMRAOTMV-UHFFFAOYSA-N
XLogP3.60
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)acetamide
CID 134050845
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide
CID 52553690
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 9077447
2-[5-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]indol-1-yl]acetic acid
CID 119235395
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
N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
CID 120568461
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37294430
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
N-(2,4-dichlorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 24502572
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581004
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
CID 37065850

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide (CID 134050842) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide?
The InChIKey is AKWSAFPMRAOTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12(2)11-24-14(4)17(13(3)23-24)6-8-19(25)21-16-5-7-18-15(9-16)10-20-22-18/h5,7,9-10,12H,6,8,11H2,1-4H3,(H,20,22)(H,21,25).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 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-(1H-indazol-5-yl)propanamide is sourced from PubChem (CID 134050842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).