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

C13H23N3O — CID 42874417

IUPAC2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]nc(CC(C)C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-8(2)7-10-11(9(3)15-16-10)14-12(17)13(4,5)6/h8H,7H2,1-6H3,(H,14,17)(H,15,16)
InChIKeySZHFVUHEVNRKQE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.90
Rot. Bonds3

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

2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide (PubChem CID 42874417) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide
PubChem CID42874417
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]nc(CC(C)C)c1NC(=O)C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-8(2)7-10-11(9(3)15-16-10)14-12(17)13(4,5)6/h8H,7H2,1-6H3,(H,14,17)(H,15,16)
InChIKeySZHFVUHEVNRKQE-UHFFFAOYSA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43399085
CID 43547722
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CID 54592691
CID 54592691
CID 164634824
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CID 78975158
CID 78975158
CID 81932761
CID 81932761
CID 81932778
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CID 103310270
CID 103310270

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide (CID 42874417) is 2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide is Cc1[nH]nc(CC(C)C)c1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide?
The InChIKey is SZHFVUHEVNRKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)7-10-11(9(3)15-16-10)14-12(17)13(4,5)6/h8H,7H2,1-6H3,(H,14,17)(H,15,16).
What are the key properties of 2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide?
2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide has a molecular weight of 237.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 42874417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).