N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide

C18H23N3O2 — CID 42686906

IUPACN-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCOc1cccc(-c2n[nH]c(C3CC3)c2NC(=O)C(C)(C)C)c1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)17(22)19-16-14(11-8-9-11)20-21-15(16)12-6-5-7-13(10-12)23-4/h5-7,10-11H,8-9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyFEIUXRBHMVIGRJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.95
Rot. Bonds4

About N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide

N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide (PubChem CID 42686906) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
PubChem CID42686906
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCOc1cccc(-c2n[nH]c(C3CC3)c2NC(=O)C(C)(C)C)c1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)17(22)19-16-14(11-8-9-11)20-21-15(16)12-6-5-7-13(10-12)23-4/h5-7,10-11H,8-9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyFEIUXRBHMVIGRJ-UHFFFAOYSA-N
XLogP3.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide (CID 42686906) is N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide is COc1cccc(-c2n[nH]c(C3CC3)c2NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
The InChIKey is FEIUXRBHMVIGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,3)17(22)19-16-14(11-8-9-11)20-21-15(16)12-6-5-7-13(10-12)23-4/h5-7,10-11H,8-9H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide?
N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42686906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).