N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide

C18H30N4O2 — CID 4582597

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(CC(=O)NC(C)(C)C)C2CCCC2)cn1
InChIInChI=1S/C18H30N4O2/c1-13(2)22-11-14(10-19-22)17(24)21(15-8-6-7-9-15)12-16(23)20-18(3,4)5/h10-11,13,15H,6-9,12H2,1-5H3,(H,20,23)
InChIKeyWYDXJTCHQYESOO-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 4582597) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID4582597
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(CC(=O)NC(C)(C)C)C2CCCC2)cn1
InChIInChI=1S/C18H30N4O2/c1-13(2)22-11-14(10-19-22)17(24)21(15-8-6-7-9-15)12-16(23)20-18(3,4)5/h10-11,13,15H,6-9,12H2,1-5H3,(H,20,23)
InChIKeyWYDXJTCHQYESOO-UHFFFAOYSA-N
XLogP2.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide (CID 4582597) is N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)N(CC(=O)NC(C)(C)C)C2CCCC2)cn1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is WYDXJTCHQYESOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)22-11-14(10-19-22)17(24)21(15-8-6-7-9-15)12-16(23)20-18(3,4)5/h10-11,13,15H,6-9,12H2,1-5H3,(H,20,23).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-cyclopentyl-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 4582597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).