2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide

C18H31N5O2 — CID 75370151

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(=O)CNC2CCCCC2C(C)(C)C)cn1
InChIInChI=1S/C18H31N5O2/c1-18(2,3)14-7-5-6-8-15(14)20-10-16(24)22-13-9-21-23(11-13)12-17(25)19-4/h9,11,14-15,20H,5-8,10,12H2,1-4H3,(H,19,25)(H,22,24)
InChIKeyYLOGDGGJLDRORN-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.76
Rot. Bonds6

About 2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide

2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 75370151) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID75370151
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCNC(=O)Cn1cc(NC(=O)CNC2CCCCC2C(C)(C)C)cn1
InChIInChI=1S/C18H31N5O2/c1-18(2,3)14-7-5-6-8-15(14)20-10-16(24)22-13-9-21-23(11-13)12-17(25)19-4/h9,11,14-15,20H,5-8,10,12H2,1-4H3,(H,19,25)(H,22,24)
InChIKeyYLOGDGGJLDRORN-UHFFFAOYSA-N
XLogP1.76
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide (CID 75370151) is 2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide is CNC(=O)Cn1cc(NC(=O)CNC2CCCCC2C(C)(C)C)cn1.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is YLOGDGGJLDRORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-18(2,3)14-7-5-6-8-15(14)20-10-16(24)22-13-9-21-23(11-13)12-17(25)19-4/h9,11,14-15,20H,5-8,10,12H2,1-4H3,(H,19,25)(H,22,24).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide?
2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 75370151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).