N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

C16H27N5O2 — CID 84595622

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C16H27N5O2/c1-10-14(11(2)20-19-10)12-7-6-8-21(12)15(23)17-9-13(22)18-16(3,4)5/h12H,6-9H2,1-5H3,(H,17,23)(H,18,22)(H,19,20)
InChIKeyRKDKOZSIWYRAIC-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.79
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 84595622) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID84595622
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C16H27N5O2/c1-10-14(11(2)20-19-10)12-7-6-8-21(12)15(23)17-9-13(22)18-16(3,4)5/h12H,6-9H2,1-5H3,(H,17,23)(H,18,22)(H,19,20)
InChIKeyRKDKOZSIWYRAIC-UHFFFAOYSA-N
XLogP1.79
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide (CID 84595622) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is Cc1n[nH]c(C)c1C1CCCN1C(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is RKDKOZSIWYRAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-10-14(11(2)20-19-10)12-7-6-8-21(12)15(23)17-9-13(22)18-16(3,4)5/h12H,6-9H2,1-5H3,(H,17,23)(H,18,22)(H,19,20).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 84595622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).