N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide

C13H23N3O — CID 91648947

IUPACN-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide
SMILESCCCc1[nH]ncc1C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-6-7-11-10(8-14-15-11)12(17)16(5)9-13(2,3)4/h8H,6-7,9H2,1-5H3,(H,14,15)
InChIKeyGJVYEOGSQHRKGS-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.48
Rot. Bonds4

About N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide

N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide (PubChem CID 91648947) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide
PubChem CID91648947
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide
SMILESCCCc1[nH]ncc1C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-6-7-11-10(8-14-15-11)12(17)16(5)9-13(2,3)4/h8H,6-7,9H2,1-5H3,(H,14,15)
InChIKeyGJVYEOGSQHRKGS-UHFFFAOYSA-N
XLogP2.48
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide (CID 91648947) is N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide is CCCc1[nH]ncc1C(=O)N(C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide?
The InChIKey is GJVYEOGSQHRKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-7-11-10(8-14-15-11)12(17)16(5)9-13(2,3)4/h8H,6-7,9H2,1-5H3,(H,14,15).
What are the key properties of N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide?
N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methyl-5-propyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91648947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).