N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide

C17H23FN4O — CID 119653761

IUPACN-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC(C)(C)CN)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H23FN4O/c1-12-15(16(23)21(4)11-17(2,3)10-19)9-20-22(12)14-7-5-13(18)6-8-14/h5-9H,10-11,19H2,1-4H3
InChIKeyXFPQJBQZOLRUAH-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.38
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide (PubChem CID 119653761) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
PubChem CID119653761
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC(C)(C)CN)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H23FN4O/c1-12-15(16(23)21(4)11-17(2,3)10-19)9-20-22(12)14-7-5-13(18)6-8-14/h5-9H,10-11,19H2,1-4H3
InChIKeyXFPQJBQZOLRUAH-UHFFFAOYSA-N
XLogP2.38
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide (CID 119653761) is N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)CC(C)(C)CN)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
The InChIKey is XFPQJBQZOLRUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-12-15(16(23)21(4)11-17(2,3)10-19)9-20-22(12)14-7-5-13(18)6-8-14/h5-9H,10-11,19H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 119653761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).