N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

C14H24N4O — CID 75397420

IUPACN-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)NC(C)(C)C
InChIInChI=1S/C14H24N4O/c1-9-12(10(2)17-16-9)11-7-6-8-18(11)13(19)15-14(3,4)5/h11H,6-8H2,1-5H3,(H,15,19)(H,16,17)
InChIKeyVIAAGORZAXYOGM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.67
Rot. Bonds1

About N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 75397420) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID75397420
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)NC(C)(C)C
InChIInChI=1S/C14H24N4O/c1-9-12(10(2)17-16-9)11-7-6-8-18(11)13(19)15-14(3,4)5/h11H,6-8H2,1-5H3,(H,15,19)(H,16,17)
InChIKeyVIAAGORZAXYOGM-UHFFFAOYSA-N
XLogP2.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (CID 75397420) is N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is Cc1n[nH]c(C)c1C1CCCN1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is VIAAGORZAXYOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9-12(10(2)17-16-9)11-7-6-8-18(11)13(19)15-14(3,4)5/h11H,6-8H2,1-5H3,(H,15,19)(H,16,17).
What are the key properties of N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75397420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).