N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide

C18H28N4O2 — CID 56817946

IUPACN-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)N(CC(N)=O)C2CCCC2)cc1C1CC1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)22-15(12-8-9-12)10-14(20-22)17(24)21(11-16(19)23)13-6-4-5-7-13/h10,12-13H,4-9,11H2,1-3H3,(H2,19,23)
InChIKeyMXRWFIQYONSSPO-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.39
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide

N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide (PubChem CID 56817946) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide
PubChem CID56817946
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)N(CC(N)=O)C2CCCC2)cc1C1CC1
InChIInChI=1S/C18H28N4O2/c1-18(2,3)22-15(12-8-9-12)10-14(20-22)17(24)21(11-16(19)23)13-6-4-5-7-13/h10,12-13H,4-9,11H2,1-3H3,(H2,19,23)
InChIKeyMXRWFIQYONSSPO-UHFFFAOYSA-N
XLogP2.39
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide (CID 56817946) is N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide is CC(C)(C)n1nc(C(=O)N(CC(N)=O)C2CCCC2)cc1C1CC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide?
The InChIKey is MXRWFIQYONSSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-18(2,3)22-15(12-8-9-12)10-14(20-22)17(24)21(11-16(19)23)13-6-4-5-7-13/h10,12-13H,4-9,11H2,1-3H3,(H2,19,23).
What are the key properties of N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide?
N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-tert-butyl-N-cyclopentyl-5-cyclopropylpyrazole-3-carboxamide is sourced from PubChem (CID 56817946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).